N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-ethyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-ethyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-ethyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-N-ethylacetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-ethylacetamide Traditional Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-ethyl-N-piperonyl-acetamide Formula: C24H32N3O3+ MolecularWeight: 410.52918

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)C[NH+]3CCN(CC3)C4=CC=CC(=C4C)C

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)C[NH+]3CCN(CC3)C4=CC=CC(=C4C)C

InChI

InChI=1S/C24H31N3O3/c1-4-26(15-20-8-9-22-23(14-20)30-17-29-22)24(28)16-25-10-12-27(13-11-25)21-7-5-6-18(2)19(21)3/h5-9,14H,4,10-13,15-17H2,1-3H3/p+1