2-oxidanylidene-6-piperidin-1-ylsulfonyl-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-1H-quinoline-4-carboxamide

Systemtic Name: 2-oxidanylidene-6-piperidin-1-ylsulfonyl-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-1H-quinoline-4-carboxamide Openeye Name: 2-oxo-6-(1-piperidylsulfonyl)-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-1H-quinoline-4-carboxamide CAS Name: 2-oxo-6-(1-piperidinylsulfonyl)-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-1H-quinoline-4-carboxamide IUPAC Name: 2-oxo-6-piperidin-1-ylsulfonyl-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-1H-quinoline-4-carboxamide Traditional Name: 2-keto-6-piperidinosulfonyl-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-1H-quinoline-4-carboxamide Formula: C27H33N4O4S+ MolecularWeight: 509.64032

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C=C3C(=O)NCCC[NH+]4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C=C3C(=O)NCCC[NH+]4CCC5=CC=CC=C5C4

InChI

InChI=1S/C27H32N4O4S/c32-26-18-24(27(33)28-12-6-13-30-16-11-20-7-2-3-8-21(20)19-30)23-17-22(9-10-25(23)29-26)36(34,35)31-14-4-1-5-15-31/h2-3,7-10,17-18H,1,4-6,11-16,19H2,(H,28,33)(H,29,32)/p+1