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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)NC(=O)CSC(=O)C3=CC=CC=C3)[N+]4=CC=CC=C41

Isomeric SMILES

C1CC2=C(C=CC(=C2)NC(=O)CSC(=O)C3=CC=CC=C3)[N+]4=CC=CC=C41

InChI

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