4-[2-(6-azanyl-4-oxidanylidene-4aH-quinazolin-3-ium-3-yl)ethyl]benzenesulfonamide

Systemtic Name: 4-[2-(6-azanyl-4-oxidanylidene-4aH-quinazolin-3-ium-3-yl)ethyl]benzenesulfonamide Openeye Name: 4-[2-(6-amino-4-oxo-4aH-quinazolin-3-ium-3-yl)ethyl]benzenesulfonamide CAS Name: 4-[2-(6-amino-4-oxo-4aH-quinazolin-3-ium-3-yl)ethyl]benzenesulfonamide IUPAC Name: 4-[2-(6-amino-4-oxo-4aH-quinazolin-3-ium-3-yl)ethyl]benzenesulfonamide Traditional Name: 4-[2-(6-amino-4-keto-4aH-quinazolin-3-ium-3-yl)ethyl]benzenesulfonamide Formula: C16H17N4O3S+ MolecularWeight: 345.39618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC[N+]2=CN=C3C=CC(=CC3C2=O)N)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CC[N+]2=CN=C3C=CC(=CC3C2=O)N)S(=O)(=O)N

InChI

InChI=1S/C16H17N4O3S/c17-12-3-6-15-14(9-12)16(21)20(10-19-15)8-7-11-1-4-13(5-2-11)24(18,22)23/h1-6,9-10,14H,7-8,17H2,(H2,18,22,23)/q+1