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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-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-yl)acetamide CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Traditional Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Formula: C21H24N3O4+ MolecularWeight: 382.43296

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC3=C(C=C2)OCCO3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC3=C(C=C2)OCCO3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3O4/c25-20(22-17-6-7-18-19(14-17)28-13-12-27-18)15-23-8-10-24(11-9-23)21(26)16-4-2-1-3-5-16/h1-7,14H,8-13,15H2,(H,22,25)/p+1