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

Systemtic Name: N-cyclopropyl-2-[4-[3-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-[3-[(2,4-dimethylphenyl)sulfanylmethyl]benzoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[[3-[[(2,4-dimethylphenyl)thio]methyl]phenyl]-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-[3-[(2,4-dimethylphenyl)sulfanylmethyl]benzoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-[3-[[(2,4-dimethylphenyl)thio]methyl]benzoyl]piperazin-1-ium-1-yl]acetamide Formula: C25H32N3O2S+ MolecularWeight: 438.60548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC2=CC=CC(=C2)C(=O)N3CC[NH+](CC3)CC(=O)NC4CC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC2=CC=CC(=C2)C(=O)N3CC[NH+](CC3)CC(=O)NC4CC4)C

InChI

InChI=1S/C25H31N3O2S/c1-18-6-9-23(19(2)14-18)31-17-20-4-3-5-21(15-20)25(30)28-12-10-27(11-13-28)16-24(29)26-22-7-8-22/h3-6,9,14-15,22H,7-8,10-13,16-17H2,1-2H3,(H,26,29)/p+1