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

Systemtic Name: (2S)-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]-4H-1,4-benzothiazin-3-one Openeye Name: (2S)-2-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-4H-1,4-benzothiazin-3-one CAS Name: (2S)-2-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]-4H-1,4-benzothiazin-3-one IUPAC Name: (2S)-2-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-4H-1,4-benzothiazin-3-one Traditional Name: (2S)-2-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-4H-1,4-benzothiazin-3-one Formula: C21H24N3O2S+ MolecularWeight: 382.49916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CC3C(=O)NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C[C@H]3C(=O)NC4=CC=CC=C4S3

InChI

InChI=1S/C21H23N3O2S/c25-20(14-19-21(26)22-17-8-4-5-9-18(17)27-19)24-12-10-23(11-13-24)15-16-6-2-1-3-7-16/h1-9,19H,10-15H2,(H,22,26)/p+1/t19-/m0/s1