(4R)-N-(3,4-dimethylphenyl)-2-(4-methylpiperazin-1-ium-1-ylidene)-6-oxidanylidene-1,3-diazinane-4-carboxamide

Systemtic Name: (4R)-N-(3,4-dimethylphenyl)-2-(4-methylpiperazin-1-ium-1-ylidene)-6-oxidanylidene-1,3-diazinane-4-carboxamide Openeye Name: (4R)-N-(3,4-dimethylphenyl)-2-(4-methylpiperazin-1-ium-1-ylidene)-6-oxo-hexahydropyrimidine-4-carboxamide CAS Name: (4R)-N-(3,4-dimethylphenyl)-2-(4-methyl-1-piperazin-1-iumylidene)-6-oxo-1,3-diazinane-4-carboxamide IUPAC Name: (4R)-N-(3,4-dimethylphenyl)-2-(4-methylpiperazin-1-ium-1-ylidene)-6-oxo-1,3-diazinane-4-carboxamide Traditional Name: (4R)-N-(3,4-dimethylphenyl)-6-keto-2-(4-methylpiperazin-1-ium-1-ylidene)hexahydropyrimidine-4-carboxamide Formula: C18H26N5O2+ MolecularWeight: 344.43134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CC(=O)NC(=[N+]3CCN(CC3)C)N2)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H]2CC(=O)NC(=[N+]3CCN(CC3)C)N2)C

InChI

InChI=1S/C18H25N5O2/c1-12-4-5-14(10-13(12)2)19-17(25)15-11-16(24)21-18(20-15)23-8-6-22(3)7-9-23/h4-5,10,15H,6-9,11H2,1-3H3,(H2,19,20,21,24,25)/p+1/t15-/m1/s1