methyl (E)-3-[6-methyl-1-oxidanidyl-3-(4-phenylbutoxy)pyridin-1-ium-2-yl]prop-2-enoate

Systemtic Name: methyl (E)-3-[6-methyl-1-oxidanidyl-3-(4-phenylbutoxy)pyridin-1-ium-2-yl]prop-2-enoate Openeye Name: methyl (E)-3-[6-methyl-1-oxido-3-(4-phenylbutoxy)pyridin-1-ium-2-yl]prop-2-enoate CAS Name: (E)-3-[6-methyl-1-oxido-3-(4-phenylbutoxy)-2-pyridin-1-iumyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[6-methyl-1-oxido-3-(4-phenylbutoxy)pyridin-1-ium-2-yl]prop-2-enoate Traditional Name: (E)-3-[6-methyl-1-oxido-3-(4-phenylbutoxy)pyridin-1-ium-2-yl]acrylic acid methyl ester Formula: C20H23NO4 MolecularWeight: 341.40092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=C(C=C1)OCCCCC2=CC=CC=C2)C=CC(=O)OC)[O-]

Isomeric SMILES

CC1=[N+](C(=C(C=C1)OCCCCC2=CC=CC=C2)/C=C/C(=O)OC)[O-]

InChI

InChI=1S/C20H23NO4/c1-16-11-13-19(18(21(16)23)12-14-20(22)24-2)25-15-7-6-10-17-8-4-3-5-9-17/h3-5,8-9,11-14H,6-7,10,15H2,1-2H3/b14-12+