N-cyclopropyl-2-[4-(2-ethylsulfanylphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-(2-ethylsulfanylphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-(2-ethylsulfanylbenzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[[2-(ethylthio)phenyl]-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-(2-ethylsulfanylbenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-[2-(ethylthio)benzoyl]piperazin-1-ium-1-yl]acetamide Formula: C18H26N3O2S+ MolecularWeight: 348.48294

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)N2CC[NH+](CC2)CC(=O)NC3CC3

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)N2CC[NH+](CC2)CC(=O)NC3CC3

InChI

InChI=1S/C18H25N3O2S/c1-2-24-16-6-4-3-5-15(16)18(23)21-11-9-20(10-12-21)13-17(22)19-14-7-8-14/h3-6,14H,2,7-13H2,1H3,(H,19,22)/p+1