2-[4-[4-(4-chlorophenyl)sulfanylbutanoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[4-[4-(4-chlorophenyl)sulfanylbutanoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-[4-(4-chlorophenyl)sulfanylbutanoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[4-[(4-chlorophenyl)thio]-1-oxobutyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-[4-(4-chlorophenyl)sulfanylbutanoyl]piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[4-[(4-chlorophenyl)thio]butanoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C19H27ClN3O2S+ MolecularWeight: 396.95458

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)CCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)CCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H26ClN3O2S/c20-15-3-7-17(8-4-15)26-13-1-2-19(25)23-11-9-22(10-12-23)14-18(24)21-16-5-6-16/h3-4,7-8,16H,1-2,5-6,9-14H2,(H,21,24)/p+1