5-(3-bromanylhexyl)-1-ethyl-1-(4-methylphenyl)indol-1-ium

Systemtic Name: 5-(3-bromanylhexyl)-1-ethyl-1-(4-methylphenyl)indol-1-ium Openeye Name: 5-(3-bromohexyl)-1-ethyl-1-(p-tolyl)indol-1-ium CAS Name: 5-(3-bromohexyl)-1-ethyl-1-(4-methylphenyl)indol-1-ium IUPAC Name: 5-(3-bromohexyl)-1-ethyl-1-(4-methylphenyl)indol-1-ium Traditional Name: 5-(3-bromohexyl)-1-ethyl-1-(p-tolyl)indol-1-ium Formula: C23H29BrN+ MolecularWeight: 399.38706

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC1=CC2=C(C=C1)[N+](C=C2)(CC)C3=CC=C(C=C3)C)Br

Isomeric SMILES

CCCC(CCC1=CC2=C(C=C1)[N+](C=C2)(CC)C3=CC=C(C=C3)C)Br

InChI

InChI=1S/C23H29BrN/c1-4-6-21(24)11-9-19-10-14-23-20(17-19)15-16-25(23,5-2)22-12-7-18(3)8-13-22/h7-8,10,12-17,21H,4-6,9,11H2,1-3H3/q+1