[2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 4-methyl-N-phenyl-piperazin-4-ium-1-carboximidothioate

Systemtic Name: [2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 4-methyl-N-phenyl-piperazin-4-ium-1-carboximidothioate Openeye Name: [2-[(5-chloro-2-pyridyl)amino]-2-oxo-ethyl] 4-methyl-N-phenyl-piperazin-4-ium-1-carboximidothioate CAS Name: 4-methyl-N-phenyl-1-piperazin-4-iumcarboximidothioic acid [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-chloropyridin-2-yl)amino]-2-oxoethyl] 4-methyl-N-phenylpiperazin-4-ium-1-carboximidothioate Traditional Name: 4-methyl-N-phenyl-piperazin-4-ium-1-carboximidothioic acid [2-[(5-chloro-2-pyridyl)amino]-2-keto-ethyl] ester Formula: C19H23ClN5OS+ MolecularWeight: 404.93682

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=NC=C(C=C3)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=NC=C(C=C3)Cl

InChI

InChI=1S/C19H22ClN5OS/c1-24-9-11-25(12-10-24)19(22-16-5-3-2-4-6-16)27-14-18(26)23-17-8-7-15(20)13-21-17/h2-8,13H,9-12,14H2,1H3,(H,21,23,26)/p+1