(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-(2-piperidin-1-ium-1-ylethyl)azanium dichloride

Systemtic Name: (1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-(2-piperidin-1-ium-1-ylethyl)azanium dichloride Openeye Name: (1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-(2-piperidin-1-ium-1-ylethyl)ammonium dichloride CAS Name: (1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-[2-(1-piperidin-1-iumyl)ethyl]ammonium dichloride IUPAC Name: (1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-(2-piperidin-1-ium-1-ylethyl)azanium dichloride Traditional Name: (1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-(2-piperidin-1-ium-1-ylethyl)ammonium dichloride Formula: C18H24Cl2N6 MolecularWeight: 395.32936

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC[NH2+]C2=NC=NC3=C2C=NN3C4=CC=CC=C4.[Cl-].[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)CC[NH2+]C2=NC=NC3=C2C=NN3C4=CC=CC=C4.[Cl-].[Cl-]

InChI

InChI=1S/C18H22N6.2ClH/c1-3-7-15(8-4-1)24-18-16(13-22-24)17(20-14-21-18)19-9-12-23-10-5-2-6-11-23;;/h1,3-4,7-8,13-14H,2,5-6,9-12H2,(H,19,20,21);2*1H