N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ium-1-yl-ethyl]-4-ethoxy-benzamide

Systemtic Name: N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ium-1-yl-ethyl]-4-ethoxy-benzamide Openeye Name: N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ium-1-yl-ethyl]-4-ethoxy-benzamide CAS Name: N-[(2R)-2-(4-chlorophenyl)-2-(1-piperidin-1-iumyl)ethyl]-4-ethoxybenzamide IUPAC Name: N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ium-1-ylethyl]-4-ethoxybenzamide Traditional Name: N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ium-1-yl-ethyl]-4-ethoxy-benzamide Formula: C22H28ClN2O2+ MolecularWeight: 387.92292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NCC(C2=CC=C(C=C2)Cl)[NH+]3CCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC[C@@H](C2=CC=C(C=C2)Cl)[NH+]3CCCCC3

InChI

InChI=1S/C22H27ClN2O2/c1-2-27-20-12-8-18(9-13-20)22(26)24-16-21(25-14-4-3-5-15-25)17-6-10-19(23)11-7-17/h6-13,21H,2-5,14-16H2,1H3,(H,24,26)/p+1/t21-/m0/s1