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

Systemtic Name: [(4R)-1-[(3-chlorophenyl)methyl]-7-oxidanylidene-azepan-4-yl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(4R)-1-[(3-chlorophenyl)methyl]-7-oxo-azepan-4-yl]-methyl-ammonium CAS Name: [(4R)-1-[(3-chlorophenyl)methyl]-7-oxo-4-azepanyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(4R)-1-[(3-chlorophenyl)methyl]-7-oxoazepan-4-yl]-methylazanium Traditional Name: benzyl-[(4R)-1-(3-chlorobenzyl)-7-keto-azepan-4-yl]-methyl-ammonium Formula: C21H26ClN2O+ MolecularWeight: 357.89694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O/c1-23(15-17-6-3-2-4-7-17)20-10-11-21(25)24(13-12-20)16-18-8-5-9-19(22)14-18/h2-9,14,20H,10-13,15-16H2,1H3/p+1/t20-/m1/s1