2-[4-[3-[(4-chlorophenyl)sulfanylmethyl]phenyl]carbonylpiperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[4-[3-[(4-chlorophenyl)sulfanylmethyl]phenyl]carbonylpiperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-[3-[(4-chlorophenyl)sulfanylmethyl]benzoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[[3-[[(4-chlorophenyl)thio]methyl]phenyl]-oxomethyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-[3-[(4-chlorophenyl)sulfanylmethyl]benzoyl]piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[3-[[(4-chlorophenyl)thio]methyl]benzoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C23H27ClN3O2S+ MolecularWeight: 444.99738

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)CSC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)CSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H26ClN3O2S/c24-19-4-8-21(9-5-19)30-16-17-2-1-3-18(14-17)23(29)27-12-10-26(11-13-27)15-22(28)25-20-6-7-20/h1-5,8-9,14,20H,6-7,10-13,15-16H2,(H,25,28)/p+1