2-(1-methylpyrrolidin-1-ium-1-yl)ethyl 2-cyclohex-2-en-1-yl-2-phenyl-ethanoate

Systemtic Name: 2-(1-methylpyrrolidin-1-ium-1-yl)ethyl 2-cyclohex-2-en-1-yl-2-phenyl-ethanoate Openeye Name: 2-(1-methylpyrrolidin-1-ium-1-yl)ethyl 2-cyclohex-2-en-1-yl-2-phenyl-acetate CAS Name: 2-(1-cyclohex-2-enyl)-2-phenylacetic acid 2-(1-methyl-1-pyrrolidin-1-iumyl)ethyl ester IUPAC Name: 2-(1-methylpyrrolidin-1-ium-1-yl)ethyl 2-cyclohex-2-en-1-yl-2-phenylacetate Traditional Name: 2-cyclohex-2-en-1-yl-2-phenyl-acetic acid 2-(1-methylpyrrolidin-1-ium-1-yl)ethyl ester Formula: C21H30NO2+ MolecularWeight: 328.4684

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1)CCOC(=O)C(C2CCCC=C2)C3=CC=CC=C3

Isomeric SMILES

C[N+]1(CCCC1)CCOC(=O)C(C2CCCC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H30NO2/c1-22(14-8-9-15-22)16-17-24-21(23)20(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2,4-6,10-12,19-20H,3,7-9,13-17H2,1H3/q+1