2-(6-pyridin-1-ium-1-ylhexyl)-9H-pyrido[3,4-b]indol-2-ium

Systemtic Name: 2-(6-pyridin-1-ium-1-ylhexyl)-9H-pyrido[3,4-b]indol-2-ium Openeye Name: 2-(6-pyridin-1-ium-1-ylhexyl)-9H-pyrido[3,4-b]indol-2-ium CAS Name: 2-[6-(1-pyridin-1-iumyl)hexyl]-9H-pyrido[3,4-b]indol-2-ium IUPAC Name: 2-(6-pyridin-1-ium-1-ylhexyl)-9H-pyrido[3,4-b]indol-2-ium Traditional Name: 2-(6-pyridin-1-ium-1-ylhexyl)-9H-$b-carbolin-2-ium Formula: C22H25N3+2 MolecularWeight: 331.454

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CCCCCC[N+]2=CC3=C(C=C2)C4=CC=CC=C4N3

Isomeric SMILES

C1=CC=[N+](C=C1)CCCCCC[N+]2=CC3=C(C=C2)C4=CC=CC=C4N3

InChI

InChI=1S/C22H24N3/c1(6-13-24-14-8-3-9-15-24)2-7-16-25-17-12-20-19-10-4-5-11-21(19)23-22(20)18-25/h3-5,8-12,14-15,17-18H,1-2,6-7,13,16H2/q+1/p+1