(2S)-2-[4-(4-chlorophenyl)carbonylpiperazin-1-ium-1-yl]-N-(2-methoxy-5-methyl-phenyl)propanamide

Systemtic Name: (2S)-2-[4-(4-chlorophenyl)carbonylpiperazin-1-ium-1-yl]-N-(2-methoxy-5-methyl-phenyl)propanamide Openeye Name: (2S)-2-[4-(4-chlorobenzoyl)piperazin-1-ium-1-yl]-N-(2-methoxy-5-methyl-phenyl)propanamide CAS Name: (2S)-2-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(2-methoxy-5-methylphenyl)propanamide IUPAC Name: (2S)-2-[4-(4-chlorobenzoyl)piperazin-1-ium-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide Traditional Name: (2S)-2-[4-(4-chlorobenzoyl)piperazin-1-ium-1-yl]-N-(2-methoxy-5-methyl-phenyl)propionamide Formula: C22H27ClN3O3+ MolecularWeight: 416.92108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(C)[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)[C@H](C)[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H26ClN3O3/c1-15-4-9-20(29-3)19(14-15)24-21(27)16(2)25-10-12-26(13-11-25)22(28)17-5-7-18(23)8-6-17/h4-9,14,16H,10-13H2,1-3H3,(H,24,27)/p+1/t16-/m0/s1