1-(2-methylphenyl)-5-(2-piperidin-1-ium-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-(2-methylphenyl)-5-(2-piperidin-1-ium-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-(o-tolyl)-5-(2-piperidin-1-ium-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(2-methylphenyl)-5-[2-(1-piperidin-1-iumyl)ethyl]-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 1-(2-methylphenyl)-5-(2-piperidin-1-ium-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-(o-tolyl)-5-(2-piperidin-1-ium-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-one Formula: C19H24N5O+ MolecularWeight: 338.42676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C3=C(C=N2)C(=O)N(C=N3)CC[NH+]4CCCCC4

Isomeric SMILES

CC1=CC=CC=C1N2C3=C(C=N2)C(=O)N(C=N3)CC[NH+]4CCCCC4

InChI

InChI=1S/C19H23N5O/c1-15-7-3-4-8-17(15)24-18-16(13-21-24)19(25)23(14-20-18)12-11-22-9-5-2-6-10-22/h3-4,7-8,13-14H,2,5-6,9-12H2,1H3/p+1