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

Systemtic Name: 2-oxidanylidene-6-pyrrolidin-1-ylsulfonyl-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-1H-quinoline-4-carboxamide Openeye Name: 2-oxo-6-pyrrolidin-1-ylsulfonyl-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-1H-quinoline-4-carboxamide CAS Name: 2-oxo-6-(1-pyrrolidinylsulfonyl)-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-1H-quinoline-4-carboxamide IUPAC Name: 2-oxo-6-pyrrolidin-1-ylsulfonyl-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-1H-quinoline-4-carboxamide Traditional Name: 2-keto-6-pyrrolidinosulfonyl-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-1H-quinoline-4-carboxamide Formula: C26H31N4O4S+ MolecularWeight: 495.61374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C=C3C(=O)NCCC[NH+]4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C=C3C(=O)NCCC[NH+]4CCC5=CC=CC=C5C4

InChI

InChI=1S/C26H30N4O4S/c31-25-17-23(22-16-21(8-9-24(22)28-25)35(33,34)30-13-3-4-14-30)26(32)27-11-5-12-29-15-10-19-6-1-2-7-20(19)18-29/h1-2,6-9,16-17H,3-5,10-15,18H2,(H,27,32)(H,28,31)/p+1