2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-5-phenyl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-5-phenyl-pyridin-1-ium-3-carbonitrile Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-5-phenyl-pyridin-1-ium-3-carbonitrile CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-5-phenyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-5-phenylpyridin-1-ium-3-carbonitrile Traditional Name: 5-phenyl-2-(4-piperonylpiperazin-4-ium-1-yl)pyridin-1-ium-3-carbonitrile Formula: C24H24N4O2+2 MolecularWeight: 400.47296

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=[NH+]C=C(C=C4C#N)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=[NH+]C=C(C=C4C#N)C5=CC=CC=C5

InChI

InChI=1S/C24H22N4O2/c25-14-20-13-21(19-4-2-1-3-5-19)15-26-24(20)28-10-8-27(9-11-28)16-18-6-7-22-23(12-18)30-17-29-22/h1-7,12-13,15H,8-11,16-17H2/p+2