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

Systemtic Name: N-(cyclohexen-1-yl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-propyl-ethanamide Openeye Name: N-(cyclohexen-1-yl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-propyl-acetamide CAS Name: N-(1-cyclohexenyl)-2-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazin-1-iumyl]-N-propylacetamide IUPAC Name: N-(cyclohexen-1-yl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-propylacetamide Traditional Name: N-(cyclohexen-1-yl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-propyl-acetamide Formula: C21H32N7O+ MolecularWeight: 398.52508

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=CCCCC1)C(=O)C[NH+]2CCN(CC2)C3=NC=NC4=C3C=NN4C

Isomeric SMILES

CCCN(C1=CCCCC1)C(=O)C[NH+]2CCN(CC2)C3=NC=NC4=C3C=NN4C

InChI

InChI=1S/C21H31N7O/c1-3-9-28(17-7-5-4-6-8-17)19(29)15-26-10-12-27(13-11-26)21-18-14-24-25(2)20(18)22-16-23-21/h7,14,16H,3-6,8-13,15H2,1-2H3/p+1