N-(1-propan-2-ylpiperidin-1-ium-4-yl)-2-thiophen-2-yl-quinoline-4-carboxamide

Systemtic Name: N-(1-propan-2-ylpiperidin-1-ium-4-yl)-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-(1-isopropylpiperidin-1-ium-4-yl)-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-(1-propan-2-yl-4-piperidin-1-iumyl)-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-(1-propan-2-ylpiperidin-1-ium-4-yl)-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-(1-isopropylpiperidin-1-ium-4-yl)-2-(2-thienyl)cinchoninamide Formula: C22H26N3OS+ MolecularWeight: 380.52634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3OS/c1-15(2)25-11-9-16(10-12-25)23-22(26)18-14-20(21-8-5-13-27-21)24-19-7-4-3-6-17(18)19/h3-8,13-16H,9-12H2,1-2H3,(H,23,26)/p+1