1,2,3,3-tetramethylbenzo[e]indol-3-ium stiborate hexahydrofluoride

Systemtic Name: 1,2,3,3-tetramethylbenzo[e]indol-3-ium stiborate hexahydrofluoride Openeye Name: 1,2,3,3-tetramethylbenzo[e]indol-3-ium stiborate hexahydrofluoride CAS Name: 1,2,3,3-tetramethylbenzo[e]indol-3-ium stiborate hexahydrofluoride IUPAC Name: 1,2,3,3-tetramethylbenzo[e]indol-3-ium stiborate hexahydrofluoride Traditional Name: 1,2,3,3-tetramethylbenz[e]indol-3-ium stiborate hexahydrofluoride Formula: C48H60F6N3O4Sb MolecularWeight: 978.758119

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

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

InChI

InChI=1S/3C16H18N.6FH.4O.Sb/c3*1-11-12(2)17(3,4)15-10-9-13-7-5-6-8-14(13)16(11)15;;;;;;;;;;;/h3*5-10H,1-4H3;6*1H;;;;;/q3*+1;;;;;;;;3*-1;