N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-propoxy-benzamide

Systemtic Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-propoxy-benzamide Openeye Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-propoxy-benzamide CAS Name: N-[(2R)-2-(2-chlorophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-propoxybenzamide IUPAC Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2-propoxybenzamide Traditional Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-propoxy-benzamide Formula: C22H28ClN2O2+ MolecularWeight: 387.92292

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C(=O)NCC(C2=CC=CC=C2Cl)[NH+]3CCCC3

Isomeric SMILES

CCCOC1=CC=CC=C1C(=O)NC[C@@H](C2=CC=CC=C2Cl)[NH+]3CCCC3

InChI

InChI=1S/C22H27ClN2O2/c1-2-15-27-21-12-6-4-10-18(21)22(26)24-16-20(25-13-7-8-14-25)17-9-3-5-11-19(17)23/h3-6,9-12,20H,2,7-8,13-16H2,1H3,(H,24,26)/p+1/t20-/m0/s1