2-azanyl-6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-(cyanomethyl)pyridine-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-(cyanomethyl)pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-(cyanomethyl)pyridine-3,5-dicarbonitrile CAS Name: 2-amino-6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-4-(cyanomethyl)pyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-(cyanomethyl)pyridine-3,5-dicarbonitrile Traditional Name: 2-amino-4-(cyanomethyl)-6-(4-piperonylpiperazin-4-ium-1-yl)dinicotinonitrile Formula: C21H20N7O2+ MolecularWeight: 402.4292

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=NC(=C(C(=C4C#N)CC#N)C#N)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=NC(=C(C(=C4C#N)CC#N)C#N)N

InChI

InChI=1S/C21H19N7O2/c22-4-3-15-16(10-23)20(25)26-21(17(15)11-24)28-7-5-27(6-8-28)12-14-1-2-18-19(9-14)30-13-29-18/h1-2,9H,3,5-8,12-13H2,(H2,25,26)/p+1