(2R)-1-[2-[[4-(4-bromophenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-2-carboxamide

Systemtic Name: (2R)-1-[2-[[4-(4-bromophenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-2-carboxamide Openeye Name: (2R)-1-[2-[4-(4-bromophenyl)sulfanylanilino]-2-oxo-ethyl]piperidin-1-ium-2-carboxamide CAS Name: (2R)-1-[2-[4-[(4-bromophenyl)thio]anilino]-2-oxoethyl]-2-piperidin-1-iumcarboxamide IUPAC Name: (2R)-1-[2-[4-(4-bromophenyl)sulfanylanilino]-2-oxoethyl]piperidin-1-ium-2-carboxamide Traditional Name: (2R)-1-[2-[4-[(4-bromophenyl)thio]anilino]-2-keto-ethyl]piperidin-1-ium-2-carboxamide Formula: C20H23BrN3O2S+ MolecularWeight: 449.38452

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C(=O)N)CC(=O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)Br

Isomeric SMILES

C1CC[NH+]([C@H](C1)C(=O)N)CC(=O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H22BrN3O2S/c21-14-4-8-16(9-5-14)27-17-10-6-15(7-11-17)23-19(25)13-24-12-2-1-3-18(24)20(22)26/h4-11,18H,1-3,12-13H2,(H2,22,26)(H,23,25)/p+1/t18-/m1/s1