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

Systemtic Name: 2-ethyl-2-methyl-5-(phenylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-ium bromide Openeye Name: 5-benzyl-2-ethyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-ium bromide CAS Name: 2-ethyl-2-methyl-5-(phenylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-ium bromide IUPAC Name: 5-benzyl-2-ethyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-ium bromide Traditional Name: 5-benzyl-2-ethyl-2-methyl-3,4-dihydro-1H-pyrid[4,3-b]indol-2-ium bromide Formula: C21H25BrN2 MolecularWeight: 385.3406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N2.BrH/c1-3-23(2)14-13-21-19(16-23)18-11-7-8-12-20(18)22(21)15-17-9-5-4-6-10-17;/h4-12H,3,13-16H2,1-2H3;1H/q+1;/p-1