ethyl 4-[[(4R)-2-(4-methylpiperazin-1-ium-1-ylidene)-6-oxidanylidene-1,3-diazinan-4-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[(4R)-2-(4-methylpiperazin-1-ium-1-ylidene)-6-oxidanylidene-1,3-diazinan-4-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[(4R)-2-(4-methylpiperazin-1-ium-1-ylidene)-6-oxo-hexahydropyrimidine-4-carbonyl]amino]benzoate CAS Name: 4-[[[(4R)-2-(4-methyl-1-piperazin-1-iumylidene)-6-oxo-1,3-diazinan-4-yl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(4R)-2-(4-methylpiperazin-1-ium-1-ylidene)-6-oxo-1,3-diazinane-4-carbonyl]amino]benzoate Traditional Name: 4-[[(4R)-6-keto-2-(4-methylpiperazin-1-ium-1-ylidene)hexahydropyrimidine-4-carbonyl]amino]benzoic acid ethyl ester Formula: C19H26N5O4+ MolecularWeight: 388.44084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O4/c1-3-28-18(27)13-4-6-14(7-5-13)20-17(26)15-12-16(25)22-19(21-15)24-10-8-23(2)9-11-24/h4-7,15H,3,8-12H2,1-2H3,(H2,20,21,22,25,26,27)/p+1/t15-/m1/s1