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

Systemtic Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(2-chlorophenyl)ethyl]-3-methyl-benzamide Openeye Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(2-chlorophenyl)ethyl]-3-methyl-benzamide CAS Name: N-[(2R)-2-(1-azepan-1-iumyl)-2-(2-chlorophenyl)ethyl]-3-methylbenzamide IUPAC Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(2-chlorophenyl)ethyl]-3-methylbenzamide Traditional Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(2-chlorophenyl)ethyl]-3-methyl-benzamide Formula: C22H28ClN2O+ MolecularWeight: 371.92352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCC(C2=CC=CC=C2Cl)[NH+]3CCCCCC3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC[C@@H](C2=CC=CC=C2Cl)[NH+]3CCCCCC3

InChI

InChI=1S/C22H27ClN2O/c1-17-9-8-10-18(15-17)22(26)24-16-21(19-11-4-5-12-20(19)23)25-13-6-2-3-7-14-25/h4-5,8-12,15,21H,2-3,6-7,13-14,16H2,1H3,(H,24,26)/p+1/t21-/m0/s1