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

Systemtic Name: 3-[bis(1-butyl-1-methyl-indol-1-ium-3-yl)methyl]-1-butyl-1-methyl-indol-1-ium Openeye Name: 3-[bis(1-butyl-1-methyl-indol-1-ium-3-yl)methyl]-1-butyl-1-methyl-indol-1-ium CAS Name: 3-[bis(1-butyl-1-methyl-3-indol-1-iumyl)methyl]-1-butyl-1-methylindol-1-ium IUPAC Name: 3-[bis(1-butyl-1-methylindol-1-ium-3-yl)methyl]-1-butyl-1-methylindol-1-ium Traditional Name: 3-[bis(1-butyl-1-methyl-indol-1-ium-3-yl)methyl]-1-butyl-1-methyl-indol-1-ium Formula: C40H52N3+3 MolecularWeight: 574.86098

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(C=C(C2=CC=CC=C21)C(C3=C[N+](C4=CC=CC=C43)(C)CCCC)C5=C[N+](C6=CC=CC=C65)(C)CCCC)C

Isomeric SMILES

CCCC[N+]1(C=C(C2=CC=CC=C21)C(C3=C[N+](C4=CC=CC=C43)(C)CCCC)C5=C[N+](C6=CC=CC=C65)(C)CCCC)C

InChI

InChI=1S/C40H52N3/c1-7-10-25-41(4)28-34(31-19-13-16-22-37(31)41)40(35-29-42(5,26-11-8-2)38-23-17-14-20-32(35)38)36-30-43(6,27-12-9-3)39-24-18-15-21-33(36)39/h13-24,28-30,40H,7-12,25-27H2,1-6H3/q+3