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

Systemtic Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(2-chlorophenyl)ethyl]-2-methoxy-benzamide Openeye Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(2-chlorophenyl)ethyl]-2-methoxy-benzamide CAS Name: N-[(2R)-2-(1-azepan-1-iumyl)-2-(2-chlorophenyl)ethyl]-2-methoxybenzamide IUPAC Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(2-chlorophenyl)ethyl]-2-methoxybenzamide Traditional Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(2-chlorophenyl)ethyl]-2-methoxy-benzamide Formula: C22H28ClN2O2+ MolecularWeight: 387.92292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NCC(C2=CC=CC=C2Cl)[NH+]3CCCCCC3

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC[C@@H](C2=CC=CC=C2Cl)[NH+]3CCCCCC3

InChI

InChI=1S/C22H27ClN2O2/c1-27-21-13-7-5-11-18(21)22(26)24-16-20(17-10-4-6-12-19(17)23)25-14-8-2-3-9-15-25/h4-7,10-13,20H,2-3,8-9,14-16H2,1H3,(H,24,26)/p+1/t20-/m0/s1