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

Systemtic Name: 6-(azepan-1-ylsulfonyl)-2-oxidanylidene-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-1H-quinoline-4-carboxamide Openeye Name: 6-(azepan-1-ylsulfonyl)-2-oxo-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-1H-quinoline-4-carboxamide CAS Name: 6-(1-azepanylsulfonyl)-2-oxo-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-1H-quinoline-4-carboxamide IUPAC Name: 6-(azepan-1-ylsulfonyl)-2-oxo-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-1H-quinoline-4-carboxamide Traditional Name: 6-(azepan-1-ylsulfonyl)-2-keto-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-1H-quinoline-4-carboxamide Formula: C28H35N4O4S+ MolecularWeight: 523.6669

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C=C3C(=O)NCCC[NH+]4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C=C3C(=O)NCCC[NH+]4CCC5=CC=CC=C5C4

InChI

InChI=1S/C28H34N4O4S/c33-27-19-25(28(34)29-13-7-14-31-17-12-21-8-3-4-9-22(21)20-31)24-18-23(10-11-26(24)30-27)37(35,36)32-15-5-1-2-6-16-32/h3-4,8-11,18-19H,1-2,5-7,12-17,20H2,(H,29,34)(H,30,33)/p+1