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

Systemtic Name: 2-[4-[3-(1,3-benzodioxol-5-yl)propanoyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[4-[3-(1,3-benzodioxol-5-yl)propanoyl]piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide CAS Name: 2-[4-[3-(1,3-benzodioxol-5-yl)-1-oxopropyl]-1-piperazin-1-iumyl]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[4-[3-(1,3-benzodioxol-5-yl)propanoyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[4-[3-(1,3-benzodioxol-5-yl)propanoyl]piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide Formula: C23H28N3O4+ MolecularWeight: 410.48612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)CCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)CCC3=CC4=C(C=C3)OCO4

InChI

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