3-(1-methyl-9H-pyrido[3,4-b]indol-2-ium-2-yl)propyl-pentan-3-yl-azanium dibromide

Systemtic Name: 3-(1-methyl-9H-pyrido[3,4-b]indol-2-ium-2-yl)propyl-pentan-3-yl-azanium dibromide Openeye Name: 1-ethylpropyl-[3-(1-methyl-9H-pyrido[3,4-b]indol-2-ium-2-yl)propyl]ammonium dibromide CAS Name: 3-(1-methyl-9H-pyrido[3,4-b]indol-2-ium-2-yl)propyl-pentan-3-ylammonium dibromide IUPAC Name: 3-(1-methyl-9H-pyrido[3,4-b]indol-2-ium-2-yl)propyl-pentan-3-ylazanium dibromide Traditional Name: 1-ethylpropyl-[3-(1-methyl-9H-$b-carbolin-2-ium-2-yl)propyl]ammonium dibromide Formula: C20H29Br2N3 MolecularWeight: 471.27236

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)[NH2+]CCC[N+]1=C(C2=C(C=C1)C3=CC=CC=C3N2)C.[Br-].[Br-]

Isomeric SMILES

CCC(CC)[NH2+]CCC[N+]1=C(C2=C(C=C1)C3=CC=CC=C3N2)C.[Br-].[Br-]

InChI

InChI=1S/C20H27N3.2BrH/c1-4-16(5-2)21-12-8-13-23-14-11-18-17-9-6-7-10-19(17)22-20(18)15(23)3;;/h6-7,9-11,14,16,21H,4-5,8,12-13H2,1-3H3;2*1H