2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-[(4-ethoxyphenyl)methyl]-N-methyl-ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-[(4-ethoxyphenyl)methyl]-N-methyl-ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-[(4-ethoxyphenyl)methyl]-N-methyl-acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide Traditional Name: N-(4-ethoxybenzyl)-N-methyl-2-(4-piperonylpiperazin-1-ium-1-yl)acetamide Formula: C24H32N3O4+ MolecularWeight: 426.52858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN(C)C(=O)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC1=CC=C(C=C1)CN(C)C(=O)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H31N3O4/c1-3-29-21-7-4-19(5-8-21)15-25(2)24(28)17-27-12-10-26(11-13-27)16-20-6-9-22-23(14-20)31-18-30-22/h4-9,14H,3,10-13,15-18H2,1-2H3/p+1