2-(1,3-benzothiazol-2-ylmethoxy)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethoxy)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylmethoxy)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]acetamide CAS Name: 2-(1,3-benzothiazol-2-ylmethoxy)-N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylmethoxy)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylmethoxy)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]acetamide Formula: C23H28N3O3S+ MolecularWeight: 426.55172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)COCC2=NC3=CC=CC=C3S2)[NH+]4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)COCC2=NC3=CC=CC=C3S2)[NH+]4CCCC4

InChI

InChI=1S/C23H27N3O3S/c1-28-18-10-8-17(9-11-18)20(26-12-4-5-13-26)14-24-22(27)15-29-16-23-25-19-6-2-3-7-21(19)30-23/h2-3,6-11,20H,4-5,12-16H2,1H3,(H,24,27)/p+1/t20-/m0/s1