4-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propyl]-1,4-benzothiazin-3-one

Systemtic Name: 4-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propyl]-1,4-benzothiazin-3-one Openeye Name: 4-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxo-propyl]-1,4-benzothiazin-3-one CAS Name: 4-[3-oxo-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]propyl]-1,4-benzothiazin-3-one IUPAC Name: 4-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxopropyl]-1,4-benzothiazin-3-one Traditional Name: 4-[3-(4-benzylpiperazin-4-ium-1-yl)-3-keto-propyl]-1,4-benzothiazin-3-one Formula: C22H26N3O2S+ MolecularWeight: 396.52574

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCN3C(=O)CSC4=CC=CC=C43

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCN3C(=O)CSC4=CC=CC=C43

InChI

InChI=1S/C22H25N3O2S/c26-21(10-11-25-19-8-4-5-9-20(19)28-17-22(25)27)24-14-12-23(13-15-24)16-18-6-2-1-3-7-18/h1-9H,10-17H2/p+1