N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-amine

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-amine Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1,1-dioxo-1,2-benzothiazol-3-amine CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-1,1-dioxo-1,2-benzothiazol-3-amine IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-1,1-dioxo-1,2-benzothiazol-3-amine Traditional Name: (1,1-diketo-1,2-benzothiazol-3-yl)-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amine Formula: C20H24N3O3S+ MolecularWeight: 386.48786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC2=NS(=O)(=O)C3=CC=CC=C32)[NH+]4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC2=NS(=O)(=O)C3=CC=CC=C32)[NH+]4CCCC4

InChI

InChI=1S/C20H23N3O3S/c1-26-16-10-8-15(9-11-16)18(23-12-4-5-13-23)14-21-20-17-6-2-3-7-19(17)27(24,25)22-20/h2-3,6-11,18H,4-5,12-14H2,1H3,(H,21,22)/p+1/t18-/m0/s1