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

Systemtic Name: (4R)-2-[4-(diphenylmethyl)piperazin-1-ium-1-ylidene]-N-(4-ethanoylphenyl)-6-oxidanylidene-1,3-diazinane-4-carboxamide Openeye Name: (4R)-N-(4-acetylphenyl)-2-(4-benzhydrylpiperazin-1-ium-1-ylidene)-6-oxo-hexahydropyrimidine-4-carboxamide CAS Name: (4R)-N-(4-acetylphenyl)-2-[4-(diphenylmethyl)-1-piperazin-1-iumylidene]-6-oxo-1,3-diazinane-4-carboxamide IUPAC Name: (4R)-N-(4-acetylphenyl)-2-(4-benzhydrylpiperazin-1-ium-1-ylidene)-6-oxo-1,3-diazinane-4-carboxamide Traditional Name: (4R)-N-(4-acetylphenyl)-2-(4-benzhydrylpiperazin-1-ium-1-ylidene)-6-keto-hexahydropyrimidine-4-carboxamide Formula: C30H32N5O3+ MolecularWeight: 510.60678

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)NC(=[N+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)N2

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)[C@H]2CC(=O)NC(=[N+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)N2

InChI

InChI=1S/C30H31N5O3/c1-21(36)22-12-14-25(15-13-22)31-29(38)26-20-27(37)33-30(32-26)35-18-16-34(17-19-35)28(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-15,26,28H,16-20H2,1H3,(H2,31,32,33,36,37,38)/p+1/t26-/m1/s1