methyl (E)-3-(1,3-dibutylbenzimidazol-3-ium-2-yl)-2-methyl-3-phenylazanyl-prop-2-enoate

Systemtic Name: methyl (E)-3-(1,3-dibutylbenzimidazol-3-ium-2-yl)-2-methyl-3-phenylazanyl-prop-2-enoate Openeye Name: methyl (E)-3-anilino-3-(1,3-dibutylbenzimidazol-3-ium-2-yl)-2-methyl-prop-2-enoate CAS Name: (E)-3-anilino-3-(1,3-dibutyl-2-benzimidazol-3-iumyl)-2-methyl-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-anilino-3-(1,3-dibutylbenzimidazol-3-ium-2-yl)-2-methylprop-2-enoate Traditional Name: (E)-3-anilino-3-(1,3-dibutylbenzimidazol-3-ium-2-yl)-2-methyl-acrylic acid methyl ester Formula: C26H34N3O2+ MolecularWeight: 420.56706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2[N+](=C1C(=C(C)C(=O)OC)NC3=CC=CC=C3)CCCC

Isomeric SMILES

CCCCN1C2=CC=CC=C2[N+](=C1/C(=C(/C)\C(=O)OC)/NC3=CC=CC=C3)CCCC

InChI

InChI=1S/C26H33N3O2/c1-5-7-18-28-22-16-12-13-17-23(22)29(19-8-6-2)25(28)24(20(3)26(30)31-4)27-21-14-10-9-11-15-21/h9-17H,5-8,18-19H2,1-4H3/p+1