2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]ethyl 2-(1-methyl-3,6-dihydro-2H-pyridin-1-ium-1-yl)-2-phenyl-ethanoate

Systemtic Name: 2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]ethyl 2-(1-methyl-3,6-dihydro-2H-pyridin-1-ium-1-yl)-2-phenyl-ethanoate Openeye Name: 2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]ethyl 2-(1-methyl-3,6-dihydro-2H-pyridin-1-ium-1-yl)-2-phenyl-acetate CAS Name: 2-(1-methyl-3,6-dihydro-2H-pyridin-1-ium-1-yl)-2-phenylacetic acid 2-[2-(1-methyl-1-piperidin-1-iumyl)ethoxy]ethyl ester IUPAC Name: 2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]ethyl 2-(1-methyl-3,6-dihydro-2H-pyridin-1-ium-1-yl)-2-phenylacetate Traditional Name: 2-(1-methyl-3,6-dihydro-2H-pyridin-1-ium-1-yl)-2-phenyl-acetic acid 2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]ethyl ester Formula: C24H38N2O3+2 MolecularWeight: 402.57012

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CCOCCOC(=O)C(C2=CC=CC=C2)[N+]3(CCC=CC3)C

Isomeric SMILES

C[N+]1(CCCCC1)CCOCCOC(=O)C(C2=CC=CC=C2)[N+]3(CCC=CC3)C

InChI

InChI=1S/C24H38N2O3/c1-25(14-8-4-9-15-25)18-19-28-20-21-29-24(27)23(22-12-6-3-7-13-22)26(2)16-10-5-11-17-26/h3,5-7,10,12-13,23H,4,8-9,11,14-21H2,1-2H3/q+2