[diphenyl(propoxy)methyl] 1-methylpiperidin-1-ium-4-carboxylate

Systemtic Name: [diphenyl(propoxy)methyl] 1-methylpiperidin-1-ium-4-carboxylate Openeye Name: [diphenyl(propoxy)methyl] 1-methylpiperidin-1-ium-4-carboxylate CAS Name: 1-methyl-4-piperidin-1-iumcarboxylic acid [diphenyl(propoxy)methyl] ester IUPAC Name: [diphenyl(propoxy)methyl] 1-methylpiperidin-1-ium-4-carboxylate Traditional Name: 1-methylpiperidin-1-ium-4-carboxylic acid [diphenyl(propoxy)methyl] ester Formula: C23H30NO3+ MolecularWeight: 368.4892

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(C1=CC=CC=C1)(C2=CC=CC=C2)OC(=O)C3CC[NH+](CC3)C

Isomeric SMILES

CCCOC(C1=CC=CC=C1)(C2=CC=CC=C2)OC(=O)C3CC[NH+](CC3)C

InChI

InChI=1S/C23H29NO3/c1-3-18-26-23(20-10-6-4-7-11-20,21-12-8-5-9-13-21)27-22(25)19-14-16-24(2)17-15-19/h4-13,19H,3,14-18H2,1-2H3/p+1