1-phenyl-N-(2-piperidin-1-ium-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 1-phenyl-N-(2-piperidin-1-ium-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 1-phenyl-N-(2-piperidin-1-ium-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-phenyl-N-[2-(1-piperidin-1-iumyl)ethyl]-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-phenyl-N-(2-piperidin-1-ium-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: (1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-(2-piperidin-1-ium-1-ylethyl)amine Formula: C18H23N6+ MolecularWeight: 323.41542

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCNC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CCNC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C18H22N6/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)/p+1