methyl (E)-6-(3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)oxyhex-2-enoate

Systemtic Name: methyl (E)-6-(3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)oxyhex-2-enoate Openeye Name: methyl (E)-6-(3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)oxyhex-2-enoate CAS Name: (E)-6-[[3-(1-pyrrolidin-1-iumylidene)-1-cyclohexenyl]oxy]-2-hexenoic acid methyl ester IUPAC Name: methyl (E)-6-(3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)oxyhex-2-enoate Traditional Name: (E)-6-(3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)oxyhex-2-enoic acid methyl ester Formula: C17H26NO3+ MolecularWeight: 292.39324

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CCCCOC1=CC(=[N+]2CCCC2)CCC1

Isomeric SMILES

COC(=O)/C=C/CCCOC1=CC(=[N+]2CCCC2)CCC1

InChI

InChI=1S/C17H26NO3/c1-20-17(19)10-3-2-6-13-21-16-9-7-8-15(14-16)18-11-4-5-12-18/h3,10,14H,2,4-9,11-13H2,1H3/q+1/b10-3+