1,2,3,3-tetramethylbenzo[e]indol-3-ium sulfate

Systemtic Name: 1,2,3,3-tetramethylbenzo[e]indol-3-ium sulfate Openeye Name: 1,2,3,3-tetramethylbenzo[e]indol-3-ium sulfate CAS Name: 1,2,3,3-tetramethylbenzo[e]indol-3-ium sulfate IUPAC Name: 1,2,3,3-tetramethylbenzo[e]indol-3-ium sulfate Traditional Name: 1,2,3,3-tetramethylbenz[e]indol-3-ium sulfate Formula: C32H36N2O4S MolecularWeight: 544.70424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](C2=C1C3=CC=CC=C3C=C2)(C)C)C.CC1=C([N+](C2=C1C3=CC=CC=C3C=C2)(C)C)C.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC1=C([N+](C2=C1C3=CC=CC=C3C=C2)(C)C)C.CC1=C([N+](C2=C1C3=CC=CC=C3C=C2)(C)C)C.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C16H18N.H2O4S/c2*1-11-12(2)17(3,4)15-10-9-13-7-5-6-8-14(13)16(11)15;1-5(2,3)4/h2*5-10H,1-4H3;(H2,1,2,3,4)/q2*+1;/p-2