N-[(2R)-2-(azepan-1-ium-1-yl)-2-(2-chlorophenyl)ethyl]-3-methyl-butanamide

Systemtic Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(2-chlorophenyl)ethyl]-3-methyl-butanamide Openeye Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(2-chlorophenyl)ethyl]-3-methyl-butanamide CAS Name: N-[(2R)-2-(1-azepan-1-iumyl)-2-(2-chlorophenyl)ethyl]-3-methylbutanamide IUPAC Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(2-chlorophenyl)ethyl]-3-methylbutanamide Traditional Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(2-chlorophenyl)ethyl]-3-methyl-butyramide Formula: C19H30ClN2O+ MolecularWeight: 337.9073

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NCC(C1=CC=CC=C1Cl)[NH+]2CCCCCC2

Isomeric SMILES

CC(C)CC(=O)NC[C@@H](C1=CC=CC=C1Cl)[NH+]2CCCCCC2

InChI

InChI=1S/C19H29ClN2O/c1-15(2)13-19(23)21-14-18(16-9-5-6-10-17(16)20)22-11-7-3-4-8-12-22/h5-6,9-10,15,18H,3-4,7-8,11-14H2,1-2H3,(H,21,23)/p+1/t18-/m0/s1