ethyl 2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate

Systemtic Name: ethyl 2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate Openeye Name: ethyl 2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxylate CAS Name: 2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-3-oxo-4H-1,4-benzothiazine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxylate Traditional Name: 3-keto-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-4H-1,4-benzothiazine-6-carboxylic acid ethyl ester Formula: C22H26N3O4S+ MolecularWeight: 428.52454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)SC(C(=O)N2)[NH+]3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)SC(C(=O)N2)[NH+]3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H25N3O4S/c1-3-29-22(27)15-4-9-19-18(14-15)23-20(26)21(30-19)25-12-10-24(11-13-25)16-5-7-17(28-2)8-6-16/h4-9,14,21H,3,10-13H2,1-2H3,(H,23,26)/p+1