2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4,6-dimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 4,6-dimethyl-2-(4-piperonylpiperazin-4-ium-1-yl)nicotinonitrile Formula: C20H23N4O2+ MolecularWeight: 351.42222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C20H22N4O2/c1-14-9-15(2)22-20(17(14)11-21)24-7-5-23(6-8-24)12-16-3-4-18-19(10-16)26-13-25-18/h3-4,9-10H,5-8,12-13H2,1-2H3/p+1