methyl (E)-3-[6-(chloromethyl)-1-oxidanidyl-3-(3-phenylpropoxy)pyridin-1-ium-2-yl]prop-2-enoate

Systemtic Name: methyl (E)-3-[6-(chloromethyl)-1-oxidanidyl-3-(3-phenylpropoxy)pyridin-1-ium-2-yl]prop-2-enoate Openeye Name: methyl (E)-3-[6-(chloromethyl)-1-oxido-3-(3-phenylpropoxy)pyridin-1-ium-2-yl]prop-2-enoate CAS Name: (E)-3-[6-(chloromethyl)-1-oxido-3-(3-phenylpropoxy)-2-pyridin-1-iumyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[6-(chloromethyl)-1-oxido-3-(3-phenylpropoxy)pyridin-1-ium-2-yl]prop-2-enoate Traditional Name: (E)-3-[6-(chloromethyl)-1-oxido-3-(3-phenylpropoxy)pyridin-1-ium-2-yl]acrylic acid methyl ester Formula: C19H20ClNO4 MolecularWeight: 361.8194

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1=C(C=CC(=[N+]1[O-])CCl)OCCCC2=CC=CC=C2

Isomeric SMILES

COC(=O)/C=C/C1=C(C=CC(=[N+]1[O-])CCl)OCCCC2=CC=CC=C2

InChI

InChI=1S/C19H20ClNO4/c1-24-19(22)12-10-17-18(11-9-16(14-20)21(17)23)25-13-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-12H,5,8,13-14H2,1H3/b12-10+