2-[(E)-2-(4-dimethylaminophenyl)ethenyl]-1,3,3-trimethyl-indol-1-ium-6-sulfonate

Systemtic Name: 2-[(E)-2-(4-dimethylaminophenyl)ethenyl]-1,3,3-trimethyl-indol-1-ium-6-sulfonate Openeye Name: 2-[(E)-2-(4-dimethylaminophenyl)vinyl]-1,3,3-trimethyl-indol-1-ium-6-sulfonate CAS Name: 2-[(E)-2-(4-dimethylaminophenyl)ethenyl]-1,3,3-trimethyl-6-indol-1-iumsulfonate IUPAC Name: 2-[(E)-2-(4-dimethylaminophenyl)ethenyl]-1,3,3-trimethylindol-1-ium-6-sulfonate Traditional Name: 2-[(E)-2-(4-dimethylaminophenyl)vinyl]-1,3,3-trimethyl-indol-1-ium-6-sulfonate Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=C(C=C2)S(=O)(=O)[O-])[N+](=C1C=CC3=CC=C(C=C3)N(C)C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O3S/c1-21(2)18-12-11-17(27(24,25)26)14-19(18)23(5)20(21)13-8-15-6-9-16(10-7-15)22(3)4/h6-14H,1-5H3