N-(2,3-dimethyl-6-nitro-phenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(2,3-dimethyl-6-nitrophenyl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,3-dimethyl-6-nitrophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C18H23N6O3+ MolecularWeight: 371.41362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3)C

InChI

InChI=1S/C18H22N6O3/c1-13-4-5-15(24(26)27)17(14(13)2)21-16(25)12-22-8-10-23(11-9-22)18-19-6-3-7-20-18/h3-7H,8-12H2,1-2H3,(H,21,25)/p+1