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

Systemtic Name: 3,3-dimethyl-N-(4-methylphenyl)-5-oxidanylidene-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide Openeye Name: 3,3-dimethyl-5-oxo-N-(p-tolyl)-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide CAS Name: 3,3-dimethyl-N-(4-methylphenyl)-5-oxo-5-[4-(2-pyridin-1-iumyl)-1-piperazinyl]pentanamide IUPAC Name: 3,3-dimethyl-N-(4-methylphenyl)-5-oxo-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide Traditional Name: 5-keto-3,3-dimethyl-N-(p-tolyl)-5-(4-pyridin-1-ium-2-ylpiperazino)valeramide Formula: C23H31N4O2+ MolecularWeight: 395.51784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O2/c1-18-7-9-19(10-8-18)25-21(28)16-23(2,3)17-22(29)27-14-12-26(13-15-27)20-6-4-5-11-24-20/h4-11H,12-17H2,1-3H3,(H,25,28)/p+1