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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperazin-4-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[1-(3-pyridyl)pyrrol-2-yl]methyl]piperazin-4-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[1-(3-pyridinyl)-2-pyrrolyl]methyl]piperazin-4-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperazin-4-ium Traditional Name: 1-piperonyl-4-[[1-(3-pyridyl)pyrrol-2-yl]methyl]piperazin-4-ium Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O2/c1-3-19(14-23-7-1)26-8-2-4-20(26)16-25-11-9-24(10-12-25)15-18-5-6-21-22(13-18)28-17-27-21/h1-8,13-14H,9-12,15-17H2/p+1