(2R)-2-(azepan-1-ium-1-yl)-1-(4-chlorophenyl)-3-(5-ethanoyl-2-methoxy-phenyl)propan-1-one

Systemtic Name: (2R)-2-(azepan-1-ium-1-yl)-1-(4-chlorophenyl)-3-(5-ethanoyl-2-methoxy-phenyl)propan-1-one Openeye Name: (2R)-3-(5-acetyl-2-methoxy-phenyl)-2-(azepan-1-ium-1-yl)-1-(4-chlorophenyl)propan-1-one CAS Name: (2R)-3-(5-acetyl-2-methoxyphenyl)-2-(1-azepan-1-iumyl)-1-(4-chlorophenyl)-1-propanone IUPAC Name: (2R)-3-(5-acetyl-2-methoxyphenyl)-2-(azepan-1-ium-1-yl)-1-(4-chlorophenyl)propan-1-one Traditional Name: (2R)-3-(5-acetyl-2-methoxy-phenyl)-2-(azepan-1-ium-1-yl)-1-(4-chlorophenyl)propan-1-one Formula: C24H29ClNO3+ MolecularWeight: 414.94496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28ClNO3/c1-17(27)19-9-12-23(29-2)20(15-19)16-22(26-13-5-3-4-6-14-26)24(28)18-7-10-21(25)11-8-18/h7-12,15,22H,3-6,13-14,16H2,1-2H3/p+1/t22-/m1/s1