N-(3-methoxyphenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-methoxyphenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-methoxyphenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-methoxyphenyl)-2-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-methoxyphenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-methoxyphenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide Formula: C19H24N7O2+ MolecularWeight: 382.43956

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CC[NH+](CC3)CC(=O)NC4=CC(=CC=C4)OC

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CC[NH+](CC3)CC(=O)NC4=CC(=CC=C4)OC

InChI

InChI=1S/C19H23N7O2/c1-24-18-16(11-22-24)19(21-13-20-18)26-8-6-25(7-9-26)12-17(27)23-14-4-3-5-15(10-14)28-2/h3-5,10-11,13H,6-9,12H2,1-2H3,(H,23,27)/p+1