2-[4-[3-(3-chloranyl-4-methyl-phenyl)propanoyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide

Systemtic Name: 2-[4-[3-(3-chloranyl-4-methyl-phenyl)propanoyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide Openeye Name: 2-[4-[3-(3-chloro-4-methyl-phenyl)propanoyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide CAS Name: 2-[4-[3-(3-chloro-4-methylphenyl)-1-oxopropyl]-1-piperazin-1-iumyl]-N-(2-ethylphenyl)acetamide IUPAC Name: 2-[4-[3-(3-chloro-4-methylphenyl)propanoyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Traditional Name: 2-[4-[3-(3-chloro-4-methyl-phenyl)propanoyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Formula: C24H31ClN3O2+ MolecularWeight: 428.97484

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)CCC3=CC(=C(C=C3)C)Cl

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)CCC3=CC(=C(C=C3)C)Cl

InChI

InChI=1S/C24H30ClN3O2/c1-3-20-6-4-5-7-22(20)26-23(29)17-27-12-14-28(15-13-27)24(30)11-10-19-9-8-18(2)21(25)16-19/h4-9,16H,3,10-15,17H2,1-2H3,(H,26,29)/p+1