Trimethyl-[5-oxo-4,4-diphenyl-5-(prop-2-enylamino)pentan-2-yl]azanium

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Basic information

CAS: 6293-77-2
Standard SMILES: C=CCNC(=O)C(CC(C)[N+](C)(C)C)(c1ccccc1)c1ccccc1
InChIKey: NBWPFCDPLKPJAZ-UHFFFAOYSA-O
Molecular formula: C23H31N2O+
Average molar mass: 351.5 g/mol
Monoisotopic mass: 351.24363862

Names & identifiers

Preferred name: Trimethyl-[5-oxo-4,4-diphenyl-5-(prop-2-enylamino)pentan-2-yl]azanium
IUPAC: trimethyl-[5-oxo-4,4-diphenyl-5-(prop-2-enylamino)pentan-2-yl]azanium

Names & synonyms

6293-77-2NSC9141trimethyl-[5-oxo-4,4-diphenyl-5-(prop-2-enylamino)pentan-2-yl]azaniumDTXSID80328198NSC-9141N,N,N-Trimethyl-5-oxo-4,4-diphenyl-5-[(prop-2-en-1-yl)amino]pentan-2-aminium

Database identifiers

CAS: 6293-77-2
PubChem CID: 407758
DTXSID: DTXSID80328198

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 8
Heavy atoms: 26
Formal charge: 1
Complexity: 435

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