COC1=CC2=c3c(ccc4c3=CN(/C=C/N3CCC(C5CCN(CCCN6C=Cc7ccc8c(c7=C6)=C6C=C(OC)C=CC6N8C)CC5)CC3)C=C4)N(C)C2C=C1.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)[O-].CS(=O)(=O)[O-]

InChIKey

XYGIFXDNNGEAFZ-YKPUJPTISA-L

Molecular formula

C53H70N6O14S4-2

Average molar mass

1,143.4 g/mol

Monoisotopic mass

1,142.38328562

Names & identifiers

Preferred name: 10-Methoxy-2-(3-(1'-(2-(10-methoxy-7-methyl-7H-pyrido(4,3-c)carbazolium-2-yl)ethyl)(4,4'-bipiperidin)-1-yl)propyl)-7-methyl-7H-pyrido(4,3-c)carbazolium tetramethanesulfonate
IUPAC: methanesulfonate;methanesulfonic acid;10-methoxy-2-[3-[4-[1-[(E)-2-(10-methoxy-7-methyl-7aH-pyrido[4,3-c]carbazol-2-yl)ethenyl]piperidin-4-yl]piperidin-1-yl]propyl]-7-methyl-7aH-pyrido[4,3-c]carbazole

Names & synonyms

10-Methoxy-2-(3-(1'-(2-(10-methoxy-7-methyl-7H-pyrido(4,3-c)carbazolium-2-yl)ethyl)(4,4'-bipiperidin)-1-yl)propyl)-7-methyl-7H-pyrido(4,3-c)carbazolium tetramethanesulfonate113794-19-77H-Pyrido(4,3-c)carbazolium, 10-methoxy-2-(3-(1'-(2-(10-methoxy-7-methyl-7H-pyrido(4,3-c)carbazolium-2-yl)ethyl)(4,4'-bipiperidin)-1-yl)propyl)-7-methyl-, dimethanesulfonate, dimethanesulfonate

Database identifiers

CAS: 113794-19-7
PubChem CID: 3037589

Properties

Computed structural properties

Topological polar surface area: 295 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 20
Rotatable bonds: 9
Heavy atoms: 77
Formal charge: -2
Complexity: 2,350

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