N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C21H24N3O4+ MolecularWeight: 382.43296

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4)OCO2

InChI

InChI=1S/C21H23N3O4/c1-15(25)17-11-19-20(28-14-27-19)12-18(17)22-21(26)13-23-7-9-24(10-8-23)16-5-3-2-4-6-16/h2-6,11-12H,7-10,13-14H2,1H3,(H,22,26)/p+1