(3S)-3-methyl-N-(4-methylphenyl)-5-oxidanylidene-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide

Systemtic Name: (3S)-3-methyl-N-(4-methylphenyl)-5-oxidanylidene-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide Openeye Name: (3S)-3-methyl-5-oxo-N-(p-tolyl)-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide CAS Name: (3S)-3-methyl-N-(4-methylphenyl)-5-oxo-5-[4-(2-pyridin-1-iumyl)-1-piperazinyl]pentanamide IUPAC Name: (3S)-3-methyl-N-(4-methylphenyl)-5-oxo-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide Traditional Name: (3S)-5-keto-3-methyl-N-(p-tolyl)-5-(4-pyridin-1-ium-2-ylpiperazino)valeramide Formula: C22H29N4O2+ MolecularWeight: 381.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CC(C)CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[C@H](C)CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C22H28N4O2/c1-17-6-8-19(9-7-17)24-21(27)15-18(2)16-22(28)26-13-11-25(12-14-26)20-5-3-4-10-23-20/h3-10,18H,11-16H2,1-2H3,(H,24,27)/p+1/t18-/m0/s1