(2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(4-methylphenyl)propanamide

Systemtic Name: (2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(4-methylphenyl)propanamide Openeye Name: (2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(p-tolyl)propanamide CAS Name: (2S)-2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-N-(4-methylphenyl)propanamide IUPAC Name: (2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(4-methylphenyl)propanamide Traditional Name: (2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(p-tolyl)propionamide Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)[NH+]2CCN(CC2)C3=CC=CC=C3OC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)[NH+]2CCN(CC2)C3=CC=CC=C3OC

InChI

InChI=1S/C21H27N3O2/c1-16-8-10-18(11-9-16)22-21(25)17(2)23-12-14-24(15-13-23)19-6-4-5-7-20(19)26-3/h4-11,17H,12-15H2,1-3H3,(H,22,25)/p+1/t17-/m0/s1