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

Systemtic Name: methyl (E)-3-[6-methyl-1-oxidanidyl-3-(3-phenylpropoxy)pyridin-1-ium-2-yl]prop-2-enoate Openeye Name: methyl (E)-3-[6-methyl-1-oxido-3-(3-phenylpropoxy)pyridin-1-ium-2-yl]prop-2-enoate CAS Name: (E)-3-[6-methyl-1-oxido-3-(3-phenylpropoxy)-2-pyridin-1-iumyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[6-methyl-1-oxido-3-(3-phenylpropoxy)pyridin-1-ium-2-yl]prop-2-enoate Traditional Name: (E)-3-[6-methyl-1-oxido-3-(3-phenylpropoxy)pyridin-1-ium-2-yl]acrylic acid methyl ester Formula: C19H21NO4 MolecularWeight: 327.37434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=C(C=C1)OCCCC2=CC=CC=C2)C=CC(=O)OC)[O-]

Isomeric SMILES

CC1=[N+](C(=C(C=C1)OCCCC2=CC=CC=C2)/C=C/C(=O)OC)[O-]

InChI

InChI=1S/C19H21NO4/c1-15-10-12-18(17(20(15)22)11-13-19(21)23-2)24-14-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-13H,6,9,14H2,1-2H3/b13-11+