4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-N,N-dimethyl-aniline

Systemtic Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-N,N-dimethyl-aniline Openeye Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-N,N-dimethyl-aniline CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]methyl]-N,N-dimethylaniline IUPAC Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-N,N-dimethylaniline Traditional Name: dimethyl-[4-[(4-piperonylpiperazin-1-ium-1-yl)methyl]phenyl]amine Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H27N3O2/c1-22(2)19-6-3-17(4-7-19)14-23-9-11-24(12-10-23)15-18-5-8-20-21(13-18)26-16-25-20/h3-8,13H,9-12,14-16H2,1-2H3/p+1