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

Systemtic Name: methyl (E)-6-(3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)oxyhex-2-enoate perchlorate Openeye Name: methyl (E)-6-(3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)oxyhex-2-enoate perchlorate CAS Name: (E)-6-[[3-(1-pyrrolidin-1-iumylidene)-1-cyclohexenyl]oxy]-2-hexenoic acid methyl ester perchlorate IUPAC Name: methyl (E)-6-(3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)oxyhex-2-enoate perchlorate Traditional Name: (E)-6-(3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)oxyhex-2-enoic acid methyl ester perchlorate Formula: C17H26ClNO7 MolecularWeight: 391.84384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26NO3.ClHO4/c1-20-17(19)10-3-2-6-13-21-16-9-7-8-15(14-16)18-11-4-5-12-18;2-1(3,4)5/h3,10,14H,2,4-9,11-13H2,1H3;(H,2,3,4,5)/q+1;/p-1/b10-3+;