N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-2-pyridin-3-yl-quinoline-4-carboxamide

Systemtic Name: N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: N-[(1-methyl-4-piperidin-1-iumylidene)amino]-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-2-(3-pyridyl)cinchoninamide Formula: C21H22N5O+ MolecularWeight: 360.43228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O/c1-26-11-8-16(9-12-26)24-25-21(27)18-13-20(15-5-4-10-22-14-15)23-19-7-3-2-6-17(18)19/h2-7,10,13-14H,8-9,11-12H2,1H3,(H,25,27)/p+1