3-nitro-4-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propylamino]benzamide

Systemtic Name: 3-nitro-4-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propylamino]benzamide Openeye Name: 3-nitro-4-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propylamino]benzamide CAS Name: 3-nitro-4-[3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propylamino]benzamide IUPAC Name: 3-nitro-4-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propylamino]benzamide Traditional Name: 3-nitro-4-[3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propylamino]benzamide Formula: C18H24N7O3+ MolecularWeight: 386.42826

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCNC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CCCNC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C3=NC=CC=N3

InChI

InChI=1S/C18H23N7O3/c19-17(26)14-3-4-15(16(13-14)25(27)28)20-7-2-8-23-9-11-24(12-10-23)18-21-5-1-6-22-18/h1,3-6,13,20H,2,7-12H2,(H2,19,26)/p+1