2-propoxy-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]benzamide

Systemtic Name: 2-propoxy-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]benzamide Openeye Name: 2-propoxy-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]benzamide CAS Name: 2-propoxy-N-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]benzamide IUPAC Name: 2-propoxy-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]benzamide Traditional Name: 2-propoxy-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]benzamide Formula: C20H27N2O2S+ MolecularWeight: 359.50558

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C(=O)NCC(C2=CC=CS2)[NH+]3CCCC3

Isomeric SMILES

CCCOC1=CC=CC=C1C(=O)NC[C@@H](C2=CC=CS2)[NH+]3CCCC3

InChI

InChI=1S/C20H26N2O2S/c1-2-13-24-18-9-4-3-8-16(18)20(23)21-15-17(19-10-7-14-25-19)22-11-5-6-12-22/h3-4,7-10,14,17H,2,5-6,11-13,15H2,1H3,(H,21,23)/p+1/t17-/m0/s1