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

Systemtic Name: 3-ethoxy-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ium-1-yl-ethyl]benzamide Openeye Name: 3-ethoxy-N-[(2R)-2-piperidin-1-ium-1-yl-2-(p-tolyl)ethyl]benzamide CAS Name: 3-ethoxy-N-[(2R)-2-(4-methylphenyl)-2-(1-piperidin-1-iumyl)ethyl]benzamide IUPAC Name: 3-ethoxy-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ium-1-ylethyl]benzamide Traditional Name: 3-ethoxy-N-[(2R)-2-piperidin-1-ium-1-yl-2-(p-tolyl)ethyl]benzamide Formula: C23H31N2O2+ MolecularWeight: 367.50444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O2/c1-3-27-21-9-7-8-20(16-21)23(26)24-17-22(25-14-5-4-6-15-25)19-12-10-18(2)11-13-19/h7-13,16,22H,3-6,14-15,17H2,1-2H3,(H,24,26)/p+1/t22-/m0/s1