[7-bromanyl-2-methyl-4-oxidanylidene-3-(phenylmethyl)indeno[2,1-b]pyrrol-1-yl]methyl-dimethyl-azanium chloride

Systemtic Name: [7-bromanyl-2-methyl-4-oxidanylidene-3-(phenylmethyl)indeno[2,1-b]pyrrol-1-yl]methyl-dimethyl-azanium chloride Openeye Name: (3-benzyl-7-bromo-2-methyl-4-oxo-indeno[2,1-b]pyrrol-1-yl)methyl-dimethyl-ammonium chloride CAS Name: [7-bromo-2-methyl-4-oxo-3-(phenylmethyl)-1-indeno[2,1-b]pyrrolyl]methyl-dimethylammonium chloride IUPAC Name: (3-benzyl-7-bromo-2-methyl-4-oxoindeno[2,1-b]pyrrol-1-yl)methyl-dimethylazanium chloride Traditional Name: (3-benzyl-7-bromo-4-keto-2-methyl-indeno[2,1-b]pyrrol-1-yl)methyl-dimethyl-ammonium chloride Formula: C22H22BrClN2O MolecularWeight: 445.77988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=CC=C3)C(=O)C4=C2C=C(C=C4)Br)C[NH+](C)C.[Cl-]

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=CC=C3)C(=O)C4=C2C=C(C=C4)Br)C[NH+](C)C.[Cl-]

InChI

InChI=1S/C22H21BrN2O.ClH/c1-14-19(13-24(2)3)20-18-11-16(23)9-10-17(18)22(26)21(20)25(14)12-15-7-5-4-6-8-15;/h4-11H,12-13H2,1-3H3;1H