1-butyl-3-[1-(1-butyl-1-methyl-indol-1-ium-3-yl)ethenyl]-1-methyl-indol-1-ium

Systemtic Name: 1-butyl-3-[1-(1-butyl-1-methyl-indol-1-ium-3-yl)ethenyl]-1-methyl-indol-1-ium Openeye Name: 1-butyl-3-[1-(1-butyl-1-methyl-indol-1-ium-3-yl)vinyl]-1-methyl-indol-1-ium CAS Name: 1-butyl-3-[1-(1-butyl-1-methyl-3-indol-1-iumyl)ethenyl]-1-methylindol-1-ium IUPAC Name: 1-butyl-3-[1-(1-butyl-1-methylindol-1-ium-3-yl)ethenyl]-1-methylindol-1-ium Traditional Name: 1-butyl-3-[1-(1-butyl-1-methyl-indol-1-ium-3-yl)vinyl]-1-methyl-indol-1-ium Formula: C28H36N2+2 MolecularWeight: 400.59884

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(C=C(C2=CC=CC=C21)C(=C)C3=C[N+](C4=CC=CC=C43)(C)CCCC)C

Isomeric SMILES

CCCC[N+]1(C=C(C2=CC=CC=C21)C(=C)C3=C[N+](C4=CC=CC=C43)(C)CCCC)C

InChI

InChI=1S/C28H36N2/c1-6-8-18-29(4)20-25(23-14-10-12-16-27(23)29)22(3)26-21-30(5,19-9-7-2)28-17-13-11-15-24(26)28/h10-17,20-21H,3,6-9,18-19H2,1-2,4-5H3/q+2