(4,5-dimethyl-2H-pyrido[3,2-b]indol-5-ium-3-yl)-(4-ethoxyphenyl)methanone bromide

Systemtic Name: (4,5-dimethyl-2H-pyrido[3,2-b]indol-5-ium-3-yl)-(4-ethoxyphenyl)methanone bromide Openeye Name: (4,5-dimethyl-2H-pyrido[3,2-b]indol-5-ium-3-yl)-(4-ethoxyphenyl)methanone bromide CAS Name: (4,5-dimethyl-2H-pyrido[3,2-b]indol-5-ium-3-yl)-(4-ethoxyphenyl)methanone bromide IUPAC Name: (4,5-dimethyl-2H-pyrido[3,2-b]indol-5-ium-3-yl)-(4-ethoxyphenyl)methanone bromide Traditional Name: (4,5-dimethyl-2H-pyrid[3,2-b]indol-5-ium-3-yl)-p-phenetyl-methanone bromide Formula: C22H21BrN2O2 MolecularWeight: 425.31834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C2=C(C3=[N+](C4=CC=CC=C4C3=NC2)C)C.[Br-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)C2=C(C3=[N+](C4=CC=CC=C4C3=NC2)C)C.[Br-]

InChI

InChI=1S/C22H21N2O2.BrH/c1-4-26-16-11-9-15(10-12-16)22(25)18-13-23-20-17-7-5-6-8-19(17)24(3)21(20)14(18)2;/h5-12H,4,13H2,1-3H3;1H/q+1;/p-1