(2S)-N-(2-cyanophenyl)-2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(2-cyanophenyl)-2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(2-cyanophenyl)-2-[4-(m-tolyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(2-cyanophenyl)-2-[4-(3-methylphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(2-cyanophenyl)-2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(2-cyanophenyl)-2-[4-(m-tolyl)piperazin-1-ium-1-yl]propionamide Formula: C21H25N4O+ MolecularWeight: 349.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)C(C)C(=O)NC3=CC=CC=C3C#N

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)[C@@H](C)C(=O)NC3=CC=CC=C3C#N

InChI

InChI=1S/C21H24N4O/c1-16-6-5-8-19(14-16)25-12-10-24(11-13-25)17(2)21(26)23-20-9-4-3-7-18(20)15-22/h3-9,14,17H,10-13H2,1-2H3,(H,23,26)/p+1/t17-/m0/s1