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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-methyl-ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-methyl-acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]-N-methylacetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-methylacetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(4-o-phenetylpiperazin-1-ium-1-yl)acetamide Formula: C24H32N3O4+ MolecularWeight: 426.52858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)N(C)CC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)N(C)CC3=CC4=C(C=C3)OCCO4

InChI

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