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

Systemtic Name: N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-[(1-methyl-4-piperidin-1-iumylidene)amino]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-2-(2-thienyl)cinchoninamide Formula: C20H21N4OS+ MolecularWeight: 365.47194

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4)CC1

Isomeric SMILES

C[NH+]1CCC(=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4)CC1

InChI

InChI=1S/C20H20N4OS/c1-24-10-8-14(9-11-24)22-23-20(25)16-13-18(19-7-4-12-26-19)21-17-6-3-2-5-15(16)17/h2-7,12-13H,8-11H2,1H3,(H,23,25)/p+1