(2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-4H-1,4-benzothiazin-3-one

Systemtic Name: (2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-4H-1,4-benzothiazin-3-one Openeye Name: (2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-4H-1,4-benzothiazin-3-one CAS Name: (2S)-2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-4H-1,4-benzothiazin-3-one IUPAC Name: (2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-4H-1,4-benzothiazin-3-one Traditional Name: (2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-4H-1,4-benzothiazin-3-one Formula: C19H22N3O2S+ MolecularWeight: 356.46188

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)C3C(=O)NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)[C@@H]3C(=O)NC4=CC=CC=C4S3

InChI

InChI=1S/C19H21N3O2S/c1-24-16-8-4-3-7-15(16)21-10-12-22(13-11-21)19-18(23)20-14-6-2-5-9-17(14)25-19/h2-9,19H,10-13H2,1H3,(H,20,23)/p+1/t19-/m0/s1