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

Systemtic Name: 3,5-dimethoxy-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-3-yl-ethyl]benzamide Openeye Name: 3,5-dimethoxy-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(3-thienyl)ethyl]benzamide CAS Name: 3,5-dimethoxy-N-[(2R)-2-(1-pyrrolidin-1-iumyl)-2-(3-thiophenyl)ethyl]benzamide IUPAC Name: 3,5-dimethoxy-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-3-ylethyl]benzamide Traditional Name: 3,5-dimethoxy-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(3-thienyl)ethyl]benzamide Formula: C19H25N2O3S+ MolecularWeight: 361.4784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)NCC(C2=CSC=C2)[NH+]3CCCC3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)NC[C@@H](C2=CSC=C2)[NH+]3CCCC3)OC

InChI

InChI=1S/C19H24N2O3S/c1-23-16-9-15(10-17(11-16)24-2)19(22)20-12-18(14-5-8-25-13-14)21-6-3-4-7-21/h5,8-11,13,18H,3-4,6-7,12H2,1-2H3,(H,20,22)/p+1/t18-/m0/s1