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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-methyl-ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-methyl-acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-N-methylacetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-methylacetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-methyl-acetamide Formula: C24H32N3O3+ MolecularWeight: 410.52918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)N(C)CC3=CC4=C(C=C3)OCCO4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)N(C)CC3=CC4=C(C=C3)OCCO4)C

InChI

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