butyl-[(4R)-1-[(3-methoxyphenyl)methyl]-7-oxidanylidene-azepan-4-yl]-(phenylmethyl)azanium

Systemtic Name: butyl-[(4R)-1-[(3-methoxyphenyl)methyl]-7-oxidanylidene-azepan-4-yl]-(phenylmethyl)azanium Openeye Name: benzyl-butyl-[(4R)-1-[(3-methoxyphenyl)methyl]-7-oxo-azepan-4-yl]ammonium CAS Name: butyl-[(4R)-1-[(3-methoxyphenyl)methyl]-7-oxo-4-azepanyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-butyl-[(4R)-1-[(3-methoxyphenyl)methyl]-7-oxoazepan-4-yl]azanium Traditional Name: benzyl-butyl-[(4R)-7-keto-1-m-anisyl-azepan-4-yl]ammonium Formula: C25H35N2O2+ MolecularWeight: 395.5576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N2O2/c1-3-4-16-26(19-21-9-6-5-7-10-21)23-13-14-25(28)27(17-15-23)20-22-11-8-12-24(18-22)29-2/h5-12,18,23H,3-4,13-17,19-20H2,1-2H3/p+1/t23-/m1/s1