S-[2-(6,11-dihydrobenzo[b]quinolizin-5-ium-8-ylamino)-2-oxidanylidene-ethyl] benzenecarbothioate

Systemtic Name: S-[2-(6,11-dihydrobenzo[b]quinolizin-5-ium-8-ylamino)-2-oxidanylidene-ethyl] benzenecarbothioate Openeye Name: S-[2-(6,11-dihydrobenzo[b]quinolizin-5-ium-8-ylamino)-2-oxo-ethyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[2-(6,11-dihydrobenzo[b]quinolizin-5-ium-8-ylamino)-2-oxoethyl] ester IUPAC Name: S-[2-(6,11-dihydrobenzo[b]quinolizin-5-ium-8-ylamino)-2-oxoethyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[2-(6,11-dihydrobenzo[b]quinolizin-5-ium-8-ylamino)-2-keto-ethyl] ester Formula: C22H19N2O2S+ MolecularWeight: 375.46346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C[N+]3=CC=CC=C31)C=C(C=C2)NC(=O)CSC(=O)C4=CC=CC=C4

Isomeric SMILES

C1C2=C(C[N+]3=CC=CC=C31)C=C(C=C2)NC(=O)CSC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H18N2O2S/c25-21(15-27-22(26)16-6-2-1-3-7-16)23-19-10-9-17-13-20-8-4-5-11-24(20)14-18(17)12-19/h1-12H,13-15H2/p+1