[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-[(1R)-1-(3-benzamidophenyl)ethyl]-methyl-azanium

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl]-[(1R)-1-(3-benzamidophenyl)ethyl]-methyl-azanium Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl]-[(1R)-1-(3-benzamidophenyl)ethyl]-methyl-ammonium CAS Name: [2-(1-azepanyl)-2-oxoethyl]-[(1R)-1-(3-benzamidophenyl)ethyl]-methylammonium IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl]-[(1R)-1-(3-benzamidophenyl)ethyl]-methylazanium Traditional Name: [2-(azepan-1-yl)-2-keto-ethyl]-[(1R)-1-(3-benzamidophenyl)ethyl]-methyl-ammonium Formula: C24H32N3O2+ MolecularWeight: 394.52978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)NC(=O)C2=CC=CC=C2)[NH+](C)CC(=O)N3CCCCCC3

Isomeric SMILES

C[C@H](C1=CC(=CC=C1)NC(=O)C2=CC=CC=C2)[NH+](C)CC(=O)N3CCCCCC3

InChI

InChI=1S/C24H31N3O2/c1-19(26(2)18-23(28)27-15-8-3-4-9-16-27)21-13-10-14-22(17-21)25-24(29)20-11-6-5-7-12-20/h5-7,10-14,17,19H,3-4,8-9,15-16,18H2,1-2H3,(H,25,29)/p+1/t19-/m1/s1