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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+]1=C(C(C2=C1C=CC3=CC=CC=C32)(C)C)C

Isomeric SMILES

CCCCCC[N+]1=C(C(C2=C1C=CC3=CC=CC=C32)(C)C)C

InChI

InChI=1S/C21H28N/c1-5-6-7-10-15-22-16(2)21(3,4)20-18-12-9-8-11-17(18)13-14-19(20)22/h8-9,11-14H,5-7,10,15H2,1-4H3/q+1