N-(2,4-dimethylphenyl)-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]sulfanyl-ethanamide

Systemtic Name: N-(2,4-dimethylphenyl)-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]sulfanyl-ethanamide Openeye Name: 2-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]sulfanyl-N-(2,4-dimethylphenyl)acetamide CAS Name: N-(2,4-dimethylphenyl)-2-[[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]thio]acetamide IUPAC Name: 2-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]sulfanyl-N-(2,4-dimethylphenyl)acetamide Traditional Name: 2-[[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]thio]-N-(2,4-dimethylphenyl)acetamide Formula: C23H30N3O2S+ MolecularWeight: 412.5682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C23H29N3O2S/c1-18-8-9-21(19(2)14-18)24-22(27)16-29-17-23(28)26-12-10-25(11-13-26)15-20-6-4-3-5-7-20/h3-9,14H,10-13,15-17H2,1-2H3,(H,24,27)/p+1