N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methoxyphenyl)ethyl]-3-chloranyl-4-methoxy-benzamide

Systemtic Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methoxyphenyl)ethyl]-3-chloranyl-4-methoxy-benzamide Openeye Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methoxyphenyl)ethyl]-3-chloro-4-methoxy-benzamide CAS Name: N-[(2R)-2-(1-azepan-1-iumyl)-2-(4-methoxyphenyl)ethyl]-3-chloro-4-methoxybenzamide IUPAC Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methoxyphenyl)ethyl]-3-chloro-4-methoxybenzamide Traditional Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methoxyphenyl)ethyl]-3-chloro-4-methoxy-benzamide Formula: C23H30ClN2O3+ MolecularWeight: 417.9489

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CC(=C(C=C2)OC)Cl)[NH+]3CCCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC(=C(C=C2)OC)Cl)[NH+]3CCCCCC3

InChI

InChI=1S/C23H29ClN2O3/c1-28-19-10-7-17(8-11-19)21(26-13-5-3-4-6-14-26)16-25-23(27)18-9-12-22(29-2)20(24)15-18/h7-12,15,21H,3-6,13-14,16H2,1-2H3,(H,25,27)/p+1/t21-/m0/s1