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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(m-tolylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(3-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: 2-[4-(3-methylbenzyl)piperazine-1,4-diium-1-yl]-N-piperonyl-acetamide Formula: C22H29N3O3+2 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H27N3O3/c1-17-3-2-4-19(11-17)14-24-7-9-25(10-8-24)15-22(26)23-13-18-5-6-20-21(12-18)28-16-27-20/h2-6,11-12H,7-10,13-16H2,1H3,(H,23,26)/p+2