N-[(E)-2-(1,3-diethyl-5-phenyl-benzimidazol-1-ium-2-yl)ethenyl]-N-methyl-aniline; 4-methylbenzenesulfonate

Systemtic Name: N-[(E)-2-(1,3-diethyl-5-phenyl-benzimidazol-1-ium-2-yl)ethenyl]-N-methyl-aniline; 4-methylbenzenesulfonate Openeye Name: N-[(E)-2-(1,3-diethyl-5-phenyl-benzimidazol-1-ium-2-yl)vinyl]-N-methyl-aniline; 4-methylbenzenesulfonate CAS Name: N-[(E)-2-(1,3-diethyl-5-phenyl-2-benzimidazol-1-iumyl)ethenyl]-N-methylaniline; 4-methylbenzenesulfonate IUPAC Name: N-[(E)-2-(1,3-diethyl-5-phenylbenzimidazol-1-ium-2-yl)ethenyl]-N-methylaniline; 4-methylbenzenesulfonate Traditional Name: [(E)-2-(1,3-diethyl-5-phenyl-benzimidazol-1-ium-2-yl)vinyl]-methyl-phenyl-amine tosylate Formula: C33H35N3O3S MolecularWeight: 553.7143

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)C3=CC=CC=C3)[N+](=C1C=CN(C)C4=CC=CC=C4)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCN1C2=C(C=CC(=C2)C3=CC=CC=C3)[N+](=C1/C=C/N(C)C4=CC=CC=C4)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C26H28N3.C7H8O3S/c1-4-28-24-17-16-22(21-12-8-6-9-13-21)20-25(24)29(5-2)26(28)18-19-27(3)23-14-10-7-11-15-23;1-6-2-4-7(5-3-6)11(8,9)10/h6-20H,4-5H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1