N-[2-[[4-(hydroxymethyl)-4-phenethyl-piperidin-1-ium-1-yl]methyl]quinolin-5-yl]ethanamide

Systemtic Name: N-[2-[[4-(hydroxymethyl)-4-phenethyl-piperidin-1-ium-1-yl]methyl]quinolin-5-yl]ethanamide Openeye Name: N-[2-[[4-(hydroxymethyl)-4-phenethyl-piperidin-1-ium-1-yl]methyl]-5-quinolyl]acetamide CAS Name: N-[2-[[4-(hydroxymethyl)-4-phenethyl-1-piperidin-1-iumyl]methyl]-5-quinolinyl]acetamide IUPAC Name: N-[2-[[4-(hydroxymethyl)-4-phenethylpiperidin-1-ium-1-yl]methyl]quinolin-5-yl]acetamide Traditional Name: N-[2-[(4-methylol-4-phenethyl-piperidin-1-ium-1-yl)methyl]-5-quinolyl]acetamide Formula: C26H32N3O2+ MolecularWeight: 418.55118

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC2=C1C=CC(=N2)C[NH+]3CCC(CC3)(CCC4=CC=CC=C4)CO

Isomeric SMILES

CC(=O)NC1=CC=CC2=C1C=CC(=N2)C[NH+]3CCC(CC3)(CCC4=CC=CC=C4)CO

InChI

InChI=1S/C26H31N3O2/c1-20(31)27-24-8-5-9-25-23(24)11-10-22(28-25)18-29-16-14-26(19-30,15-17-29)13-12-21-6-3-2-4-7-21/h2-11,30H,12-19H2,1H3,(H,27,31)/p+1