1,1-bis(oxidanylidene)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,2-benzothiazol-3-amine

Systemtic Name: 1,1-bis(oxidanylidene)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,2-benzothiazol-3-amine Openeye Name: 1,1-dioxo-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,2-benzothiazol-3-amine CAS Name: 1,1-dioxo-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-1,2-benzothiazol-3-amine IUPAC Name: 1,1-dioxo-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,2-benzothiazol-3-amine Traditional Name: (1,1-diketo-1,2-benzothiazol-3-yl)-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]amine Formula: C19H22N3O2S+ MolecularWeight: 356.46188

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C19H21N3O2S/c23-25(24)18-10-4-3-9-17(18)19(21-25)20-13-15-7-1-2-8-16(15)14-22-11-5-6-12-22/h1-4,7-10H,5-6,11-14H2,(H,20,21)/p+1