3-oxidanylidene-N-[3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propyl]-4H-1,4-benzothiazine-6-carboxamide

Systemtic Name: 3-oxidanylidene-N-[3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propyl]-4H-1,4-benzothiazine-6-carboxamide Openeye Name: N-[3-(4-benzylpiperazine-1,4-diium-1-yl)propyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide CAS Name: 3-oxo-N-[3-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]propyl]-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: N-[3-(4-benzylpiperazine-1,4-diium-1-yl)propyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide Traditional Name: N-[3-(4-benzylpiperazine-1,4-diium-1-yl)propyl]-3-keto-4H-1,4-benzothiazine-6-carboxamide Formula: C23H30N4O2S+2 MolecularWeight: 426.5749

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCCNC(=O)C2=CC3=C(C=C2)SCC(=O)N3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CC[NH+]1CCCNC(=O)C2=CC3=C(C=C2)SCC(=O)N3)CC4=CC=CC=C4

InChI

InChI=1S/C23H28N4O2S/c28-22-17-30-21-8-7-19(15-20(21)25-22)23(29)24-9-4-10-26-11-13-27(14-12-26)16-18-5-2-1-3-6-18/h1-3,5-8,15H,4,9-14,16-17H2,(H,24,29)(H,25,28)/p+2