(4R)-N-(2-methylphenyl)-6-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-ylidene)-1,3-diazinane-4-carboxamide

Systemtic Name: (4R)-N-(2-methylphenyl)-6-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-ylidene)-1,3-diazinane-4-carboxamide Openeye Name: (4R)-N-(o-tolyl)-6-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-ylidene)hexahydropyrimidine-4-carboxamide CAS Name: (4R)-N-(2-methylphenyl)-6-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumylidene]-1,3-diazinane-4-carboxamide IUPAC Name: (4R)-N-(2-methylphenyl)-6-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-ylidene)-1,3-diazinane-4-carboxamide Traditional Name: (4R)-6-keto-N-(o-tolyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-ylidene)hexahydropyrimidine-4-carboxamide Formula: C21H26N6O2+2 MolecularWeight: 394.47014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2CC(=O)NC(=[N+]3CCN(CC3)C4=CC=CC=[NH+]4)N2

Isomeric SMILES

CC1=CC=CC=C1NC(=O)[C@H]2CC(=O)NC(=[N+]3CCN(CC3)C4=CC=CC=[NH+]4)N2

InChI

InChI=1S/C21H24N6O2/c1-15-6-2-3-7-16(15)23-20(29)17-14-19(28)25-21(24-17)27-12-10-26(11-13-27)18-8-4-5-9-22-18/h2-9,17H,10-14H2,1H3,(H2,23,24,25,28,29)/p+2/t17-/m1/s1