(4R)-2-[4-(diphenylmethyl)piperazin-1-ium-1-ylidene]-N-(2-methylphenyl)-6-oxidanylidene-1,3-diazinane-4-carboxamide

Systemtic Name: (4R)-2-[4-(diphenylmethyl)piperazin-1-ium-1-ylidene]-N-(2-methylphenyl)-6-oxidanylidene-1,3-diazinane-4-carboxamide Openeye Name: (4R)-2-(4-benzhydrylpiperazin-1-ium-1-ylidene)-N-(o-tolyl)-6-oxo-hexahydropyrimidine-4-carboxamide CAS Name: (4R)-2-[4-(diphenylmethyl)-1-piperazin-1-iumylidene]-N-(2-methylphenyl)-6-oxo-1,3-diazinane-4-carboxamide IUPAC Name: (4R)-2-(4-benzhydrylpiperazin-1-ium-1-ylidene)-N-(2-methylphenyl)-6-oxo-1,3-diazinane-4-carboxamide Traditional Name: (4R)-2-(4-benzhydrylpiperazin-1-ium-1-ylidene)-6-keto-N-(o-tolyl)hexahydropyrimidine-4-carboxamide Formula: C29H32N5O2+ MolecularWeight: 482.59668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2CC(=O)NC(=[N+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)N2

Isomeric SMILES

CC1=CC=CC=C1NC(=O)[C@H]2CC(=O)NC(=[N+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)N2

InChI

InChI=1S/C29H31N5O2/c1-21-10-8-9-15-24(21)30-28(36)25-20-26(35)32-29(31-25)34-18-16-33(17-19-34)27(22-11-4-2-5-12-22)23-13-6-3-7-14-23/h2-15,25,27H,16-20H2,1H3,(H2,30,31,32,35,36)/p+1/t25-/m1/s1