N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-2-pyridin-4-yl-quinoline-4-carboxamide

Systemtic Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-2-pyridin-4-yl-quinoline-4-carboxamide Openeye Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-2-(4-pyridyl)quinoline-4-carboxamide CAS Name: N-methyl-N-(1-methyl-4-piperidin-1-iumyl)-2-pyridin-4-yl-4-quinolinecarboxamide IUPAC Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-2-pyridin-4-ylquinoline-4-carboxamide Traditional Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-2-(4-pyridyl)cinchoninamide Formula: C22H25N4O+ MolecularWeight: 361.4601

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=NC=C4

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=NC=C4

InChI

InChI=1S/C22H24N4O/c1-25-13-9-17(10-14-25)26(2)22(27)19-15-21(16-7-11-23-12-8-16)24-20-6-4-3-5-18(19)20/h3-8,11-12,15,17H,9-10,13-14H2,1-2H3/p+1