5-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]quinolin-8-amine

Systemtic Name: 5-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]quinolin-8-amine Openeye Name: 5-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]quinolin-8-amine CAS Name: 5-nitro-N-[3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propyl]-8-quinolinamine IUPAC Name: 5-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]quinolin-8-amine Traditional Name: (5-nitro-8-quinolyl)-[3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propyl]amine Formula: C20H24N7O2+ MolecularWeight: 394.45026

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCNC2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CCCNC2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3)C4=NC=CC=N4

InChI

InChI=1S/C20H23N7O2/c28-27(29)18-6-5-17(19-16(18)4-1-7-22-19)21-10-3-11-25-12-14-26(15-13-25)20-23-8-2-9-24-20/h1-2,4-9,21H,3,10-15H2/p+1