(2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(2-methoxy-5-methyl-phenyl)propanamide

Systemtic Name: (2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(2-methoxy-5-methyl-phenyl)propanamide Openeye Name: (2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(2-methoxy-5-methyl-phenyl)propanamide CAS Name: (2S)-2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-N-(2-methoxy-5-methylphenyl)propanamide IUPAC Name: (2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide Traditional Name: (2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(2-methoxy-5-methyl-phenyl)propionamide Formula: C23H32N3O2+ MolecularWeight: 382.51908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(C)[NH+]2CCN(CC2)C3=CC=CC(=C3C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)[C@H](C)[NH+]2CCN(CC2)C3=CC=CC(=C3C)C

InChI

InChI=1S/C23H31N3O2/c1-16-9-10-22(28-5)20(15-16)24-23(27)19(4)25-11-13-26(14-12-25)21-8-6-7-17(2)18(21)3/h6-10,15,19H,11-14H2,1-5H3,(H,24,27)/p+1/t19-/m0/s1