methyl (E)-3-[6-methyl-1-oxidanidyl-3-(8-phenyloctoxy)pyridin-1-ium-2-yl]prop-2-enoate

Systemtic Name: methyl (E)-3-[6-methyl-1-oxidanidyl-3-(8-phenyloctoxy)pyridin-1-ium-2-yl]prop-2-enoate Openeye Name: methyl (E)-3-[6-methyl-1-oxido-3-(8-phenyloctoxy)pyridin-1-ium-2-yl]prop-2-enoate CAS Name: (E)-3-[6-methyl-1-oxido-3-(8-phenyloctoxy)-2-pyridin-1-iumyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[6-methyl-1-oxido-3-(8-phenyloctoxy)pyridin-1-ium-2-yl]prop-2-enoate Traditional Name: (E)-3-[6-methyl-1-oxido-3-(8-phenyloctoxy)pyridin-1-ium-2-yl]acrylic acid methyl ester Formula: C24H31NO4 MolecularWeight: 397.50724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=C(C=C1)OCCCCCCCCC2=CC=CC=C2)C=CC(=O)OC)[O-]

Isomeric SMILES

CC1=[N+](C(=C(C=C1)OCCCCCCCCC2=CC=CC=C2)/C=C/C(=O)OC)[O-]

InChI

InChI=1S/C24H31NO4/c1-20-15-17-23(22(25(20)27)16-18-24(26)28-2)29-19-11-6-4-3-5-8-12-21-13-9-7-10-14-21/h7,9-10,13-18H,3-6,8,11-12,19H2,1-2H3/b18-16+