N-butyl-N-methyl-4-[(5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methylamino]benzenesulfonamide

Systemtic Name: N-butyl-N-methyl-4-[(5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methylamino]benzenesulfonamide Openeye Name: N-butyl-N-methyl-4-[(5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methylamino]benzenesulfonamide CAS Name: N-butyl-N-methyl-4-[(5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methylamino]benzenesulfonamide IUPAC Name: N-butyl-N-methyl-4-[(5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methylamino]benzenesulfonamide Traditional Name: N-butyl-4-[(5-keto-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methylamino]-N-methyl-benzenesulfonamide Formula: C18H23N4O3S2+ MolecularWeight: 407.53022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)S(=O)(=O)C1=CC=C(C=C1)NCC2=CC(=O)[N+]3=C(N2)SC=C3

Isomeric SMILES

CCCCN(C)S(=O)(=O)C1=CC=C(C=C1)NCC2=CC(=O)[N+]3=C(N2)SC=C3

InChI

InChI=1S/C18H22N4O3S2/c1-3-4-9-21(2)27(24,25)16-7-5-14(6-8-16)19-13-15-12-17(23)22-10-11-26-18(22)20-15/h5-8,10-12,19H,3-4,9,13H2,1-2H3/p+1