N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-oxidanylidene-3,4-dihydro-1H-quinoline-6-sulfonamide

Systemtic Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-oxidanylidene-3,4-dihydro-1H-quinoline-6-sulfonamide Openeye Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide CAS Name: N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide IUPAC Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide Traditional Name: 2-keto-N-[2-(morpholin-4-ium-4-ylmethyl)benzyl]-3,4-dihydro-1H-quinoline-6-sulfonamide Formula: C21H26N3O4S+ MolecularWeight: 416.51384

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)NCC3=CC=CC=C3C[NH+]4CCOCC4

Isomeric SMILES

C1CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)NCC3=CC=CC=C3C[NH+]4CCOCC4

InChI

InChI=1S/C21H25N3O4S/c25-21-8-5-16-13-19(6-7-20(16)23-21)29(26,27)22-14-17-3-1-2-4-18(17)15-24-9-11-28-12-10-24/h1-4,6-7,13,22H,5,8-12,14-15H2,(H,23,25)/p+1