phenacyl 4-methyl-N-phenyl-piperazin-4-ium-1-carboximidothioate

Systemtic Name: phenacyl 4-methyl-N-phenyl-piperazin-4-ium-1-carboximidothioate Openeye Name: phenacyl 4-methyl-N-phenyl-piperazin-4-ium-1-carboximidothioate CAS Name: 4-methyl-N-phenyl-1-piperazin-4-iumcarboximidothioic acid phenacyl ester IUPAC Name: phenacyl 4-methyl-N-phenylpiperazin-4-ium-1-carboximidothioate Traditional Name: 4-methyl-N-phenyl-piperazin-4-ium-1-carboximidothioic acid phenacyl ester Formula: C20H24N3OS+ MolecularWeight: 354.48906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3OS/c1-22-12-14-23(15-13-22)20(21-18-10-6-3-7-11-18)25-16-19(24)17-8-4-2-5-9-17/h2-11H,12-16H2,1H3/p+1