(2R)-N-(2-methoxy-5-nitro-phenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-(2-methoxy-5-nitro-phenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-(2-methoxy-5-nitro-phenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2R)-N-(2-methoxy-5-nitrophenyl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(2-methoxy-5-nitrophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-(2-methoxy-5-nitro-phenyl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propionamide Formula: C18H23N6O4+ MolecularWeight: 387.41302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C18H22N6O4/c1-13(22-8-10-23(11-9-22)18-19-6-3-7-20-18)17(25)21-15-12-14(24(26)27)4-5-16(15)28-2/h3-7,12-13H,8-11H2,1-2H3,(H,21,25)/p+1/t13-/m1/s1