2-[2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]pyrrol-1-yl]-4,6-dimethyl-pyrimidine

Systemtic Name: 2-[2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]pyrrol-1-yl]-4,6-dimethyl-pyrimidine Openeye Name: 2-[2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]pyrrol-1-yl]-4,6-dimethyl-pyrimidine CAS Name: 2-[2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]methyl]-1-pyrrolyl]-4,6-dimethylpyrimidine IUPAC Name: 2-[2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]pyrrol-1-yl]-4,6-dimethylpyrimidine Traditional Name: 4,6-dimethyl-2-[2-[(4-piperonylpiperazin-1-ium-1-yl)methyl]pyrrol-1-yl]pyrimidine Formula: C23H28N5O2+ MolecularWeight: 406.50072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CC=C2C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CC=C2C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C23H27N5O2/c1-17-12-18(2)25-23(24-17)28-7-3-4-20(28)15-27-10-8-26(9-11-27)14-19-5-6-21-22(13-19)30-16-29-21/h3-7,12-13H,8-11,14-16H2,1-2H3/p+1