N-[(2R)-2-(azepan-1-ium-1-yl)-2-(2-chlorophenyl)ethyl]-4-methyl-benzamide

Systemtic Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(2-chlorophenyl)ethyl]-4-methyl-benzamide Openeye Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(2-chlorophenyl)ethyl]-4-methyl-benzamide CAS Name: N-[(2R)-2-(1-azepan-1-iumyl)-2-(2-chlorophenyl)ethyl]-4-methylbenzamide IUPAC Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(2-chlorophenyl)ethyl]-4-methylbenzamide Traditional Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(2-chlorophenyl)ethyl]-4-methyl-benzamide Formula: C22H28ClN2O+ MolecularWeight: 371.92352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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