N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-N-methyl-ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-N-methyl-ethanamide Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-acetamide CAS Name: 2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylacetamide IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylacetamide Traditional Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-acetamide Formula: C24H30N3O4+ MolecularWeight: 424.5127

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)N(C)CC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)N(C)CC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C24H29N3O4/c1-18(28)20-4-6-21(7-5-20)27-11-9-26(10-12-27)17-24(29)25(2)16-19-3-8-22-23(15-19)31-14-13-30-22/h3-8,15H,9-14,16-17H2,1-2H3/p+1