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

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 4-methyl-N-phenyl-piperazin-4-ium-1-carboximidothioate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] 4-methyl-N-phenyl-piperazin-4-ium-1-carboximidothioate CAS Name: 4-methyl-N-phenyl-1-piperazin-4-iumcarboximidothioic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] 4-methyl-N-phenylpiperazin-4-ium-1-carboximidothioate Traditional Name: 4-methyl-N-phenyl-piperazin-4-ium-1-carboximidothioic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C21H27N4OS+ MolecularWeight: 383.53028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H26N4OS/c1-24-12-14-25(15-13-24)21(23-19-10-6-3-7-11-19)27-17-20(26)22-16-18-8-4-2-5-9-18/h2-11H,12-17H2,1H3,(H,22,26)/p+1