2-methyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]quinoline-4-carboxamide

Systemtic Name: 2-methyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]quinoline-4-carboxamide Openeye Name: 2-methyl-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]quinoline-4-carboxamide CAS Name: 2-methyl-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-4-quinolinecarboxamide IUPAC Name: 2-methyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]quinoline-4-carboxamide Traditional Name: 2-methyl-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]cinchoninamide Formula: C21H24N5O+ MolecularWeight: 362.44816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)NC3=CN=C(C=C3)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)NC3=CN=C(C=C3)N4CC[NH+](CC4)C

InChI

InChI=1S/C21H23N5O/c1-15-13-18(17-5-3-4-6-19(17)23-15)21(27)24-16-7-8-20(22-14-16)26-11-9-25(2)10-12-26/h3-8,13-14H,9-12H2,1-2H3,(H,24,27)/p+1