1-hexyl-2,3,3-trimethyl-benzo[e]indol-3-ium

Systemtic Name: 1-hexyl-2,3,3-trimethyl-benzo[e]indol-3-ium Openeye Name: 1-hexyl-2,3,3-trimethyl-benzo[e]indol-3-ium CAS Name: 1-hexyl-2,3,3-trimethylbenzo[e]indol-3-ium IUPAC Name: 1-hexyl-2,3,3-trimethylbenzo[e]indol-3-ium Traditional Name: 1-hexyl-2,3,3-trimethyl-benz[e]indol-3-ium Formula: C21H28N+ MolecularWeight: 294.45372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C([N+](C2=C1C3=CC=CC=C3C=C2)(C)C)C

Isomeric SMILES

CCCCCCC1=C([N+](C2=C1C3=CC=CC=C3C=C2)(C)C)C

InChI

InChI=1S/C21H28N/c1-5-6-7-8-12-18-16(2)22(3,4)20-15-14-17-11-9-10-13-19(17)21(18)20/h9-11,13-15H,5-8,12H2,1-4H3/q+1