2-methyl-5-(phenylmethyl)-2-propyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-ium bromide

Systemtic Name: 2-methyl-5-(phenylmethyl)-2-propyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-ium bromide Openeye Name: 5-benzyl-2-methyl-2-propyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-ium bromide CAS Name: 2-methyl-5-(phenylmethyl)-2-propyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-ium bromide IUPAC Name: 5-benzyl-2-methyl-2-propyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-ium bromide Traditional Name: 5-benzyl-2-methyl-2-propyl-3,4,4a,9b-tetrahydro-1H-pyrid[4,3-b]indol-2-ium bromide Formula: C22H29BrN2 MolecularWeight: 401.38306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(CCC2C(C1)C3=CC=CC=C3N2CC4=CC=CC=C4)C.[Br-]

Isomeric SMILES

CCC[N+]1(CCC2C(C1)C3=CC=CC=C3N2CC4=CC=CC=C4)C.[Br-]

InChI

InChI=1S/C22H29N2.BrH/c1-3-14-24(2)15-13-22-20(17-24)19-11-7-8-12-21(19)23(22)16-18-9-5-4-6-10-18;/h4-12,20,22H,3,13-17H2,1-2H3;1H/q+1;/p-1