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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[4-(o-tolylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[4-[(2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-ethyl-2-[4-(2-methylbenzyl)piperazine-1,4-diium-1-yl]-N-piperonyl-acetamide Formula: C24H33N3O3+2 MolecularWeight: 411.53712

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4C

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4C

InChI

InChI=1S/C24H31N3O3/c1-3-27(15-20-8-9-22-23(14-20)30-18-29-22)24(28)17-26-12-10-25(11-13-26)16-21-7-5-4-6-19(21)2/h4-9,14H,3,10-13,15-18H2,1-2H3/p+2