1-methyl-N-[(3S)-1-(phenylmethyl)piperidin-1-ium-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 1-methyl-N-[(3S)-1-(phenylmethyl)piperidin-1-ium-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-methyl-N-[(3S)-1-(phenylmethyl)-3-piperidin-1-iumyl]-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [(3S)-1-benzylpiperidin-1-ium-3-yl]-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amine Formula: C18H23N6+ MolecularWeight: 323.41542

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)NC3CCC[NH+](C3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N[C@H]3CCC[NH+](C3)CC4=CC=CC=C4

InChI

InChI=1S/C18H22N6/c1-23-18-16(10-21-23)17(19-13-20-18)22-15-8-5-9-24(12-15)11-14-6-3-2-4-7-14/h2-4,6-7,10,13,15H,5,8-9,11-12H2,1H3,(H,19,20,22)/p+1/t15-/m0/s1