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

Systemtic Name: methyl (E)-3-(1,3-diethylbenzimidazol-3-ium-2-yl)-2-methyl-3-phenylazanyl-prop-2-enoate Openeye Name: methyl (E)-3-anilino-3-(1,3-diethylbenzimidazol-3-ium-2-yl)-2-methyl-prop-2-enoate CAS Name: (E)-3-anilino-3-(1,3-diethyl-2-benzimidazol-3-iumyl)-2-methyl-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-anilino-3-(1,3-diethylbenzimidazol-3-ium-2-yl)-2-methylprop-2-enoate Traditional Name: (E)-3-anilino-3-(1,3-diethylbenzimidazol-3-ium-2-yl)-2-methyl-acrylic acid methyl ester Formula: C22H26N3O2+ MolecularWeight: 364.46074

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2[N+](=C1C(=C(C)C(=O)OC)NC3=CC=CC=C3)CC

Isomeric SMILES

CCN1C2=CC=CC=C2[N+](=C1/C(=C(/C)\C(=O)OC)/NC3=CC=CC=C3)CC

InChI

InChI=1S/C22H25N3O2/c1-5-24-18-14-10-11-15-19(18)25(6-2)21(24)20(16(3)22(26)27-4)23-17-12-8-7-9-13-17/h7-15H,5-6H2,1-4H3/p+1