5-butyl-2-(6-pyridin-1-ium-1-ylhexyl)-1H-indole

Systemtic Name: 5-butyl-2-(6-pyridin-1-ium-1-ylhexyl)-1H-indole Openeye Name: 5-butyl-2-(6-pyridin-1-ium-1-ylhexyl)-1H-indole CAS Name: 5-butyl-2-[6-(1-pyridin-1-iumyl)hexyl]-1H-indole IUPAC Name: 5-butyl-2-(6-pyridin-1-ium-1-ylhexyl)-1H-indole Traditional Name: 5-butyl-2-(6-pyridin-1-ium-1-ylhexyl)-1H-indole Formula: C23H31N2+ MolecularWeight: 335.50564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)NC(=C2)CCCCCC[N+]3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC2=C(C=C1)NC(=C2)CCCCCC[N+]3=CC=CC=C3

InChI

InChI=1S/C23H31N2/c1-2-3-11-20-13-14-23-21(18-20)19-22(24-23)12-7-4-5-8-15-25-16-9-6-10-17-25/h6,9-10,13-14,16-19,24H,2-5,7-8,11-12,15H2,1H3/q+1