methyl 4-[[4-(hydroxymethyl)-4-(2-phenoxyethyl)piperidin-1-ium-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-(hydroxymethyl)-4-(2-phenoxyethyl)piperidin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(hydroxymethyl)-4-(2-phenoxyethyl)piperidin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[4-(hydroxymethyl)-4-(2-phenoxyethyl)-1-piperidin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(hydroxymethyl)-4-(2-phenoxyethyl)piperidin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[[4-methylol-4-(2-phenoxyethyl)piperidin-1-ium-1-yl]methyl]benzoic acid methyl ester Formula: C23H30NO4+ MolecularWeight: 384.4886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C[NH+]2CCC(CC2)(CCOC3=CC=CC=C3)CO

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C[NH+]2CCC(CC2)(CCOC3=CC=CC=C3)CO

InChI

InChI=1S/C23H29NO4/c1-27-22(26)20-9-7-19(8-10-20)17-24-14-11-23(18-25,12-15-24)13-16-28-21-5-3-2-4-6-21/h2-10,25H,11-18H2,1H3/p+1