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

Systemtic Name: 4-[2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]pyrrol-1-yl]benzenecarbonitrile Openeye Name: 4-[2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]pyrrol-1-yl]benzonitrile CAS Name: 4-[2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]methyl]-1-pyrrolyl]benzonitrile IUPAC Name: 4-[2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]pyrrol-1-yl]benzonitrile Traditional Name: 4-[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=C(C=C3)C#N)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CN2C3=CC=C(C=C3)C#N)CC4=CC5=C(C=C4)OCO5

InChI

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