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

Systemtic Name: 4-ethoxy-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-1-ium-6-yl]benzamide Openeye Name: 4-ethoxy-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-1-ium-6-yl]benzamide CAS Name: 4-ethoxy-N-[4-methyl-2-[4-(2-pyrimidinyl)-1-piperazinyl]-6-quinolin-1-iumyl]benzamide IUPAC Name: 4-ethoxy-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-1-ium-6-yl]benzamide Traditional Name: 4-ethoxy-N-[4-methyl-2-[4-(2-pyrimidyl)piperazino]quinolin-1-ium-6-yl]benzamide Formula: C27H29N6O2+ MolecularWeight: 469.55816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)[NH+]=C(C=C3C)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)[NH+]=C(C=C3C)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C27H28N6O2/c1-3-35-22-8-5-20(6-9-22)26(34)30-21-7-10-24-23(18-21)19(2)17-25(31-24)32-13-15-33(16-14-32)27-28-11-4-12-29-27/h4-12,17-18H,3,13-16H2,1-2H3,(H,30,34)/p+1