2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-methyl-N-(p-tolylmethyl)acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide Traditional Name: N-methyl-N-(4-methylbenzyl)-2-(4-piperonylpiperazine-1,4-diium-1-yl)acetamide Formula: C23H31N3O3+2 MolecularWeight: 397.51054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(C)C(=O)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)CN(C)C(=O)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H29N3O3/c1-18-3-5-19(6-4-18)14-24(2)23(27)16-26-11-9-25(10-12-26)15-20-7-8-21-22(13-20)29-17-28-21/h3-8,13H,9-12,14-17H2,1-2H3/p+2