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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C2=C(CN(CC2)C)C3=CC=CC=C31)CC4=CC=CC=C4.[Br-]

Isomeric SMILES

CC[N+]1(C2=C(CN(CC2)C)C3=CC=CC=C31)CC4=CC=CC=C4.[Br-]

InChI

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