N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1,3-benzothiazole-6-carboxamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1,3-benzothiazole-6-carboxamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-1,3-benzothiazole-6-carboxamide Traditional Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1,3-benzothiazole-6-carboxamide Formula: C21H24N3O2S+ MolecularWeight: 382.49916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CC3=C(C=C2)N=CS3)[NH+]4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC3=C(C=C2)N=CS3)[NH+]4CCCC4

InChI

InChI=1S/C21H23N3O2S/c1-26-17-7-4-15(5-8-17)19(24-10-2-3-11-24)13-22-21(25)16-6-9-18-20(12-16)27-14-23-18/h4-9,12,14,19H,2-3,10-11,13H2,1H3,(H,22,25)/p+1/t19-/m0/s1