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

Systemtic Name: N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]-2-(3,4,5-trimethoxyphenyl)ethanamide Openeye Name: N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide CAS Name: N-[(2R)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]-2-(3,4,5-trimethoxyphenyl)acetamide IUPAC Name: N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]-2-(3,4,5-trimethoxyphenyl)acetamide Traditional Name: N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide Formula: C21H29N2O4S+ MolecularWeight: 405.53096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O4S/c1-25-17-11-15(12-18(26-2)21(17)27-3)13-20(24)22-14-16(19-7-6-10-28-19)23-8-4-5-9-23/h6-7,10-12,16H,4-5,8-9,13-14H2,1-3H3,(H,22,24)/p+1/t16-/m1/s1