[5-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-2-oxidanyl-phenyl]methyl-diethyl-azanium

Systemtic Name: [5-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-2-oxidanyl-phenyl]methyl-diethyl-azanium Openeye Name: [5-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-2-hydroxy-phenyl]methyl-diethyl-ammonium CAS Name: [5-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-2-hydroxyphenyl]methyl-diethylammonium IUPAC Name: [5-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-2-hydroxyphenyl]methyl-diethylazanium Traditional Name: [5-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-2-hydroxy-benzyl]-diethyl-ammonium Formula: C18H22N3O3S+ MolecularWeight: 360.45058

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C(C=CC(=C1)NC2=NS(=O)(=O)C3=CC=CC=C32)O

Isomeric SMILES

CC[NH+](CC)CC1=C(C=CC(=C1)NC2=NS(=O)(=O)C3=CC=CC=C32)O

InChI

InChI=1S/C18H21N3O3S/c1-3-21(4-2)12-13-11-14(9-10-16(13)22)19-18-15-7-5-6-8-17(15)25(23,24)20-18/h5-11,22H,3-4,12H2,1-2H3,(H,19,20)/p+1