2-[4-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[4-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[4-(7-chloro-1,3-benzodioxole-5-carbonyl)piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide CAS Name: 2-[4-[(7-chloro-1,3-benzodioxol-5-yl)-oxomethyl]-1-piperazin-1-iumyl]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[4-(7-chloro-1,3-benzodioxole-5-carbonyl)piperazin-1-ium-1-yl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[4-(7-chloropiperonyloyl)piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide Formula: C21H23ClN3O4+ MolecularWeight: 416.87802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O4/c1-14-2-4-16(5-3-14)23-19(26)12-24-6-8-25(9-7-24)21(27)15-10-17(22)20-18(11-15)28-13-29-20/h2-5,10-11H,6-9,12-13H2,1H3,(H,23,26)/p+1