N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]pyrazin-4-ium-2-carboxamide

Systemtic Name: N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]pyrazin-4-ium-2-carboxamide Openeye Name: N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-6-quinolyl]pyrazin-4-ium-2-carboxamide CAS Name: N-[4-methyl-2-[4-(2-pyrimidinyl)-1-piperazinyl]-6-quinolinyl]-2-pyrazin-4-iumcarboxamide IUPAC Name: N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]pyrazin-4-ium-2-carboxamide Traditional Name: N-[4-methyl-2-[4-(2-pyrimidyl)piperazino]-6-quinolyl]pyrazin-4-ium-2-carboxamide Formula: C23H23N8O+ MolecularWeight: 427.48172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)C3=NC=C[NH+]=C3)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)C3=NC=C[NH+]=C3)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C23H22N8O/c1-16-13-21(30-9-11-31(12-10-30)23-26-5-2-6-27-23)29-19-4-3-17(14-18(16)19)28-22(32)20-15-24-7-8-25-20/h2-8,13-15H,9-12H2,1H3,(H,28,32)/p+1