2,2-dimethyl-5-(phenylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-ium bromide

Systemtic Name: 2,2-dimethyl-5-(phenylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-ium bromide Openeye Name: 5-benzyl-2,2-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-ium bromide CAS Name: 2,2-dimethyl-5-(phenylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-ium bromide IUPAC Name: 5-benzyl-2,2-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-ium bromide Traditional Name: 5-benzyl-2,2-dimethyl-3,4-dihydro-1H-pyrid[4,3-b]indol-2-ium bromide Formula: C20H23BrN2 MolecularWeight: 371.31402

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=CC=C4)C.[Br-]

Isomeric SMILES

C[N+]1(CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=CC=C4)C.[Br-]

InChI

InChI=1S/C20H23N2.BrH/c1-22(2)13-12-20-18(15-22)17-10-6-7-11-19(17)21(20)14-16-8-4-3-5-9-16;/h3-11H,12-15H2,1-2H3;1H/q+1;/p-1