3,4,5-trimethoxy-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]benzamide

Systemtic Name: 3,4,5-trimethoxy-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]benzamide Openeye Name: 3,4,5-trimethoxy-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]benzamide CAS Name: 3,4,5-trimethoxy-N-[(2R)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]benzamide IUPAC Name: 3,4,5-trimethoxy-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]benzamide Traditional Name: 3,4,5-trimethoxy-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]benzamide Formula: C20H27N2O4S+ MolecularWeight: 391.50438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NCC(C2=CC=CS2)[NH+]3CCCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC[C@H](C2=CC=CS2)[NH+]3CCCC3

InChI

InChI=1S/C20H26N2O4S/c1-24-16-11-14(12-17(25-2)19(16)26-3)20(23)21-13-15(18-7-6-10-27-18)22-8-4-5-9-22/h6-7,10-12,15H,4-5,8-9,13H2,1-3H3,(H,21,23)/p+1/t15-/m1/s1