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

Systemtic Name: 3,4,5-trimethoxy-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-3-yl-ethyl]benzamide Openeye Name: 3,4,5-trimethoxy-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(3-thienyl)ethyl]benzamide CAS Name: 3,4,5-trimethoxy-N-[(2R)-2-(1-pyrrolidin-1-iumyl)-2-(3-thiophenyl)ethyl]benzamide IUPAC Name: 3,4,5-trimethoxy-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-3-ylethyl]benzamide Traditional Name: 3,4,5-trimethoxy-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(3-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=CSC=C2)[NH+]3CCCC3

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O4S/c1-24-17-10-15(11-18(25-2)19(17)26-3)20(23)21-12-16(14-6-9-27-13-14)22-7-4-5-8-22/h6,9-11,13,16H,4-5,7-8,12H2,1-3H3,(H,21,23)/p+1/t16-/m0/s1