3-(1-methyl-4-phenyl-piperidin-1-ium-1-yl)propyl ethanoate

Systemtic Name: 3-(1-methyl-4-phenyl-piperidin-1-ium-1-yl)propyl ethanoate Openeye Name: 3-(1-methyl-4-phenyl-piperidin-1-ium-1-yl)propyl acetate CAS Name: acetic acid 3-(1-methyl-4-phenyl-1-piperidin-1-iumyl)propyl ester IUPAC Name: 3-(1-methyl-4-phenylpiperidin-1-ium-1-yl)propyl acetate Traditional Name: acetic acid 3-(1-methyl-4-phenyl-piperidin-1-ium-1-yl)propyl ester Formula: C17H26NO2+ MolecularWeight: 276.39384

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCC[N+]1(CCC(CC1)C2=CC=CC=C2)C

Isomeric SMILES

CC(=O)OCCC[N+]1(CCC(CC1)C2=CC=CC=C2)C

InChI

InChI=1S/C17H26NO2/c1-15(19)20-14-6-11-18(2)12-9-17(10-13-18)16-7-4-3-5-8-16/h3-5,7-8,17H,6,9-14H2,1-2H3/q+1