N-[(2S)-2-cyano-3-methyl-butan-2-yl]-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(2S)-2-cyano-3-methyl-butan-2-yl]-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(1S)-1-cyano-1,2-dimethyl-propyl]-2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[(1S)-1-cyano-1,2-dimethyl-propyl]-2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetamide Formula: C19H29N4O+ MolecularWeight: 329.45976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC(C)(C#N)C(C)C

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)N[C@](C)(C#N)C(C)C

InChI

InChI=1S/C19H28N4O/c1-15(2)19(4,14-20)21-18(24)13-22-9-11-23(12-10-22)17-8-6-5-7-16(17)3/h5-8,15H,9-13H2,1-4H3,(H,21,24)/p+1/t19-/m1/s1