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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(4-benzoylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-(4-benzoyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(4-benzoylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-(4-benzoylpiperazin-1-ium-1-yl)acetamide Formula: C20H22N3O4+ MolecularWeight: 368.40638

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H21N3O4/c24-19(21-16-6-7-17-18(12-16)27-14-26-17)13-22-8-10-23(11-9-22)20(25)15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2,(H,21,24)/p+1