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

Systemtic Name: [2-(naphthalen-1-ylamino)-2-oxidanylidene-ethyl] 4-methyl-N-phenyl-piperazin-4-ium-1-carboximidothioate Openeye Name: [2-(1-naphthylamino)-2-oxo-ethyl] 4-methyl-N-phenyl-piperazin-4-ium-1-carboximidothioate CAS Name: 4-methyl-N-phenyl-1-piperazin-4-iumcarboximidothioic acid [2-(1-naphthalenylamino)-2-oxoethyl] ester IUPAC Name: [2-(naphthalen-1-ylamino)-2-oxoethyl] 4-methyl-N-phenylpiperazin-4-ium-1-carboximidothioate Traditional Name: 4-methyl-N-phenyl-piperazin-4-ium-1-carboximidothioic acid [2-keto-2-(1-naphthylamino)ethyl] ester Formula: C24H27N4OS+ MolecularWeight: 419.56238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C[NH+]1CCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C24H26N4OS/c1-27-14-16-28(17-15-27)24(25-20-10-3-2-4-11-20)30-18-23(29)26-22-13-7-9-19-8-5-6-12-21(19)22/h2-13H,14-18H2,1H3,(H,26,29)/p+1