[3-(dimethylazaniumyl)-5-[[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-dimethyl-azanium dichloride

Systemtic Name: [3-(dimethylazaniumyl)-5-[[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-dimethyl-azanium dichloride Openeye Name: [3-(dimethylammonio)-5-[[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-dimethyl-ammonium dichloride CAS Name: [3-(dimethylammonio)-5-[[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-dimethylammonium dichloride IUPAC Name: [3-(dimethylazaniumyl)-5-[[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-dimethylazanium dichloride Traditional Name: [3-(dimethylammonio)-5-[[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-dimethyl-ammonium dichloride Formula: C18H26Cl2N6 MolecularWeight: 397.34524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CN2)C(=N1)NCC3=CC(=CC(=C3)[NH+](C)C)[NH+](C)C.[Cl-].[Cl-]

Isomeric SMILES

CC1=NC2=C(C=CN2)C(=N1)NCC3=CC(=CC(=C3)[NH+](C)C)[NH+](C)C.[Cl-].[Cl-]

InChI

InChI=1S/C18H24N6.2ClH/c1-12-21-17-16(6-7-19-17)18(22-12)20-11-13-8-14(23(2)3)10-15(9-13)24(4)5;;/h6-10H,11H2,1-5H3,(H2,19,20,21,22);2*1H