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

Systemtic Name: 3-butoxy-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ium-1-yl-ethyl]benzamide Openeye Name: 3-butoxy-N-[(2R)-2-piperidin-1-ium-1-yl-2-(p-tolyl)ethyl]benzamide CAS Name: 3-butoxy-N-[(2R)-2-(4-methylphenyl)-2-(1-piperidin-1-iumyl)ethyl]benzamide IUPAC Name: 3-butoxy-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ium-1-ylethyl]benzamide Traditional Name: 3-butoxy-N-[(2R)-2-piperidin-1-ium-1-yl-2-(p-tolyl)ethyl]benzamide Formula: C25H35N2O2+ MolecularWeight: 395.5576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NCC(C2=CC=C(C=C2)C)[NH+]3CCCCC3

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC[C@@H](C2=CC=C(C=C2)C)[NH+]3CCCCC3

InChI

InChI=1S/C25H34N2O2/c1-3-4-17-29-23-10-8-9-22(18-23)25(28)26-19-24(27-15-6-5-7-16-27)21-13-11-20(2)12-14-21/h8-14,18,24H,3-7,15-17,19H2,1-2H3,(H,26,28)/p+1/t24-/m0/s1