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

Systemtic Name: 2-(1-methylpyrrolidin-1-ium-1-yl)ethyl 2-cyclohex-2-en-1-yl-2-phenyl-ethanoate bromide Openeye Name: 2-(1-methylpyrrolidin-1-ium-1-yl)ethyl 2-cyclohex-2-en-1-yl-2-phenyl-acetate bromide CAS Name: 2-(1-cyclohex-2-enyl)-2-phenylacetic acid 2-(1-methyl-1-pyrrolidin-1-iumyl)ethyl ester bromide IUPAC Name: 2-(1-methylpyrrolidin-1-ium-1-yl)ethyl 2-cyclohex-2-en-1-yl-2-phenylacetate bromide Traditional Name: 2-cyclohex-2-en-1-yl-2-phenyl-acetic acid 2-(1-methylpyrrolidin-1-ium-1-yl)ethyl ester bromide Formula: C21H30BrNO2 MolecularWeight: 408.3724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30NO2.BrH/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;1H/q+1;/p-1