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

Systemtic Name: N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: N-[(1-ethyl-2-pyrrolidin-1-iumyl)methyl]-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-2-(3-pyridyl)cinchoninamide Formula: C22H25N4O+ MolecularWeight: 361.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN=CC=C4

Isomeric SMILES

CC[NH+]1CCCC1CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN=CC=C4

InChI

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