methyl (E)-3-(6-methyl-1-oxidanidyl-3-phenethyloxy-pyridin-1-ium-2-yl)prop-2-enoate

Systemtic Name: methyl (E)-3-(6-methyl-1-oxidanidyl-3-phenethyloxy-pyridin-1-ium-2-yl)prop-2-enoate Openeye Name: methyl (E)-3-(6-methyl-1-oxido-3-phenethyloxy-pyridin-1-ium-2-yl)prop-2-enoate CAS Name: (E)-3-(6-methyl-1-oxido-3-phenethyloxy-2-pyridin-1-iumyl)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-(6-methyl-1-oxido-3-phenethyloxypyridin-1-ium-2-yl)prop-2-enoate Traditional Name: (E)-3-(6-methyl-1-oxido-3-phenethyloxy-pyridin-1-ium-2-yl)acrylic acid methyl ester Formula: C18H19NO4 MolecularWeight: 313.34776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=C(C=C1)OCCC2=CC=CC=C2)C=CC(=O)OC)[O-]

Isomeric SMILES

CC1=[N+](C(=C(C=C1)OCCC2=CC=CC=C2)/C=C/C(=O)OC)[O-]

InChI

InChI=1S/C18H19NO4/c1-14-8-10-17(16(19(14)21)9-11-18(20)22-2)23-13-12-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3/b11-9+