2-methyl-5-(phenylmethyl)-2-propan-2-yl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-ium iodide

Systemtic Name: 2-methyl-5-(phenylmethyl)-2-propan-2-yl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-ium iodide Openeye Name: 5-benzyl-2-isopropyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-ium iodide CAS Name: 2-methyl-5-(phenylmethyl)-2-propan-2-yl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-ium iodide IUPAC Name: 5-benzyl-2-methyl-2-propan-2-yl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-ium iodide Traditional Name: 5-benzyl-2-isopropyl-2-methyl-3,4-dihydro-1H-pyrid[4,3-b]indol-2-ium iodide Formula: C22H27IN2 MolecularWeight: 446.36765

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N2.HI/c1-17(2)24(3)14-13-22-20(16-24)19-11-7-8-12-21(19)23(22)15-18-9-5-4-6-10-18;/h4-12,17H,13-16H2,1-3H3;1H/q+1;/p-1