(1-phenethyl-4-phenyl-piperidin-1-ium-4-yl) ethanoate

Systemtic Name: (1-phenethyl-4-phenyl-piperidin-1-ium-4-yl) ethanoate Openeye Name: (1-phenethyl-4-phenyl-piperidin-1-ium-4-yl) acetate CAS Name: acetic acid (1-phenethyl-4-phenyl-4-piperidin-1-iumyl) ester IUPAC Name: (1-phenethyl-4-phenylpiperidin-1-ium-4-yl) acetate Traditional Name: acetic acid (1-phenethyl-4-phenyl-piperidin-1-ium-4-yl) ester Formula: C21H26NO2+ MolecularWeight: 324.43664

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1(CC[NH+](CC1)CCC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)OC1(CC[NH+](CC1)CCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H25NO2/c1-18(23)24-21(20-10-6-3-7-11-20)13-16-22(17-14-21)15-12-19-8-4-2-5-9-19/h2-11H,12-17H2,1H3/p+1