(+)-1-(3,4,5-Trimethoxybenzoyl)-3-(2-(4-(1h-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-phenylpyrrolidine methanesulfonic acid salt

HCID 22009082
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Basic information

Standard SMILES
COc1cc(C(=O)N2CCC(CCN3CCC(Nc4nc5ccccc5[nH]4)CC3)(c3ccccc3)C2)cc(OC)c1OC.CS(=O)(=O)O
InChIKey
YTLZYLDKTFZKEJ-UHFFFAOYSA-N
Molecular formula
C35H45N5O7S
Average molar mass
679.8 g/mol
Monoisotopic mass
679.30396997

Names & identifiers

Preferred name
(+)-1-(3,4,5-Trimethoxybenzoyl)-3-(2-(4-(1h-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-phenylpyrrolidine methanesulfonic acid salt
IUPAC
[3-[2-[4-(1H-benzimidazol-2-ylamino)piperidin-1-yl]ethyl]-3-phenylpyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone;methanesulfonic acid

Names & synonyms

SCHEMBL6999368YTLZYLDKTFZKEJ-UHFFFAOYSA-N(+)-1-(3,4,5-trimethoxybenzoyl)-3-(2-(4-(1h-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-phenylpyrrolidine methanesulfonic acid salt

Database identifiers

PubChem CID
22009082

Properties

Computed structural properties

Topological polar surface area
155 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
10
Rotatable bonds
10
Heavy atoms
48

Related reactions

1 records
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Compound notes

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