4-butyl-4-[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]-N-(4-nitrophenyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-butyl-4-[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]-N-(4-nitrophenyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-butyl-4-(1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl)-N-(4-nitrophenyl)piperazin-4-ium-1-carboxamide CAS Name: 4-butyl-4-(1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)-N-(4-nitrophenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-butyl-4-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(4-nitrophenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-butyl-4-(2,6-diketo-1,3-dimethyl-pyrimidin-4-yl)-N-(4-nitrophenyl)piperazin-4-ium-1-carboxamide Formula: C21H29N6O5+ MolecularWeight: 445.49216

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CCN(CC1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC(=O)N(C(=O)N3C)C

Isomeric SMILES

CCCC[N+]1(CCN(CC1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC(=O)N(C(=O)N3C)C

InChI

InChI=1S/C21H28N6O5/c1-4-5-12-27(18-15-19(28)24(3)21(30)23(18)2)13-10-25(11-14-27)20(29)22-16-6-8-17(9-7-16)26(31)32/h6-9,15H,4-5,10-14H2,1-3H3/p+1