butyl-[(4R)-7-oxidanylidene-1-(phenylmethyl)azepan-4-yl]-(phenylmethyl)azanium

Systemtic Name: butyl-[(4R)-7-oxidanylidene-1-(phenylmethyl)azepan-4-yl]-(phenylmethyl)azanium Openeye Name: benzyl-[(4R)-1-benzyl-7-oxo-azepan-4-yl]-butyl-ammonium CAS Name: butyl-[(4R)-7-oxo-1-(phenylmethyl)-4-azepanyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(4R)-1-benzyl-7-oxoazepan-4-yl]-butylazanium Traditional Name: benzyl-[(4R)-1-benzyl-7-keto-azepan-4-yl]-butyl-ammonium Formula: C24H33N2O+ MolecularWeight: 365.53162

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CC1=CC=CC=C1)C2CCC(=O)N(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCC[NH+](CC1=CC=CC=C1)[C@@H]2CCC(=O)N(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C24H32N2O/c1-2-3-17-25(19-21-10-6-4-7-11-21)23-14-15-24(27)26(18-16-23)20-22-12-8-5-9-13-22/h4-13,23H,2-3,14-20H2,1H3/p+1/t23-/m1/s1