2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(3,4-diethoxyphenyl)ethanamide

Systemtic Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(3,4-diethoxyphenyl)ethanamide Openeye Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(3,4-diethoxyphenyl)acetamide CAS Name: 2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-N-(3,4-diethoxyphenyl)acetamide IUPAC Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(3,4-diethoxyphenyl)acetamide Traditional Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(3,4-diethoxyphenyl)acetamide Formula: C22H29ClN3O3+ MolecularWeight: 418.93696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl)OCC

InChI

InChI=1S/C22H28ClN3O3/c1-3-28-20-9-8-18(15-21(20)29-4-2)24-22(27)16-25-10-12-26(13-11-25)19-7-5-6-17(23)14-19/h5-9,14-15H,3-4,10-13,16H2,1-2H3,(H,24,27)/p+1