1,3,3-trimethyl-2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]indol-1-ium sulfate

Systemtic Name: 1,3,3-trimethyl-2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]indol-1-ium sulfate Openeye Name: 1,3,3-trimethyl-2-[(E)-2-(2-methyl-1H-indol-3-yl)vinyl]indol-1-ium sulfate CAS Name: 1,3,3-trimethyl-2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]indol-1-ium sulfate IUPAC Name: 1,3,3-trimethyl-2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]indol-1-ium sulfate Traditional Name: 1,3,3-trimethyl-2-[(E)-2-(2-methyl-1H-indol-3-yl)vinyl]indol-1-ium sulfate Formula: C44H46N4O4S MolecularWeight: 726.92544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C=CC3=[N+](C4=CC=CC=C4C3(C)C)C.CC1=C(C2=CC=CC=C2N1)C=CC3=[N+](C4=CC=CC=C4C3(C)C)C.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)/C=C/C3=[N+](C4=CC=CC=C4C3(C)C)C.CC1=C(C2=CC=CC=C2N1)/C=C/C3=[N+](C4=CC=CC=C4C3(C)C)C.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C22H22N2.H2O4S/c2*1-15-16(17-9-5-7-11-19(17)23-15)13-14-21-22(2,3)18-10-6-8-12-20(18)24(21)4;1-5(2,3)4/h2*5-14H,1-4H3;(H2,1,2,3,4)