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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-acetamide CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylacetamide IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylacetamide Traditional Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-acetamide Formula: C23H28N3O4+ MolecularWeight: 410.48612

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1)OCCO2)C(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CN(CC1=CC2=C(C=C1)OCCO2)C(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H27N3O4/c1-24(16-18-7-8-20-21(15-18)30-14-13-29-20)22(27)17-25-9-11-26(12-10-25)23(28)19-5-3-2-4-6-19/h2-8,15H,9-14,16-17H2,1H3/p+1