2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]ethanamide

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]ethanamide Openeye Name: 2-[2-(3,4-dimethoxyphenyl)thiazol-4-yl]-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]acetamide CAS Name: 2-[2-(3,4-dimethoxyphenyl)-4-thiazolyl]-N-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]acetamide IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]acetamide Traditional Name: 2-[2-(3,4-dimethoxyphenyl)thiazol-4-yl]-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]acetamide Formula: C23H28N3O3S2+ MolecularWeight: 458.61672

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=CS2)CC(=O)NCC(C3=CC=CS3)[NH+]4CCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=CS2)CC(=O)NC[C@@H](C3=CC=CS3)[NH+]4CCCC4)OC

InChI

InChI=1S/C23H27N3O3S2/c1-28-19-8-7-16(12-20(19)29-2)23-25-17(15-31-23)13-22(27)24-14-18(21-6-5-11-30-21)26-9-3-4-10-26/h5-8,11-12,15,18H,3-4,9-10,13-14H2,1-2H3,(H,24,27)/p+1/t18-/m0/s1