2-[2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]pyrrol-1-yl]benzenecarbonitrile

Systemtic Name: 2-[2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]pyrrol-1-yl]benzenecarbonitrile Openeye Name: 2-[2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]pyrrol-1-yl]benzonitrile CAS Name: 2-[2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]methyl]-1-pyrrolyl]benzonitrile IUPAC Name: 2-[2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]pyrrol-1-yl]benzonitrile Traditional Name: 2-[2-[(4-piperonylpiperazin-1-ium-1-yl)methyl]pyrrol-1-yl]benzonitrile Formula: C24H25N4O2+ MolecularWeight: 401.4809

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CN2C3=CC=CC=C3C#N)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CN2C3=CC=CC=C3C#N)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H24N4O2/c25-15-20-4-1-2-6-22(20)28-9-3-5-21(28)17-27-12-10-26(11-13-27)16-19-7-8-23-24(14-19)30-18-29-23/h1-9,14H,10-13,16-18H2/p+1