1-(1,3-benzodioxol-5-ylmethyl)-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazine-1,4-diium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazine-1,4-diium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazine-1,4-diium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazine-1,4-diium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazine-1,4-diium Traditional Name: 1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-piperonyl-piperazine-1,4-diium Formula: C17H24N4O2+2 MolecularWeight: 316.39806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(N=CN1)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H22N4O2/c1-13-15(19-11-18-13)10-21-6-4-20(5-7-21)9-14-2-3-16-17(8-14)23-12-22-16/h2-3,8,11H,4-7,9-10,12H2,1H3,(H,18,19)/p+2