4-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-1,4-benzothiazin-3-one

Systemtic Name: 4-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-1,4-benzothiazin-3-one Openeye Name: 4-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-oxo-propyl]-1,4-benzothiazin-3-one CAS Name: 4-[3-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-3-oxopropyl]-1,4-benzothiazin-3-one IUPAC Name: 4-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-oxopropyl]-1,4-benzothiazin-3-one Traditional Name: 4-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-keto-propyl]-1,4-benzothiazin-3-one Formula: C23H25N4O2S2+ MolecularWeight: 453.6002

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)CCN4C(=O)CSC5=CC=CC=C54

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)CCN4C(=O)CSC5=CC=CC=C54

InChI

InChI=1S/C23H24N4O2S2/c28-22(9-10-27-18-6-2-4-8-20(18)30-16-23(27)29)26-13-11-25(12-14-26)15-21-24-17-5-1-3-7-19(17)31-21/h1-8H,9-16H2/p+1