N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxamide

Systemtic Name: N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxamide Openeye Name: N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide CAS Name: N-[3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]propyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide Traditional Name: 3-keto-N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-4H-1,4-benzothiazine-6-carboxamide Formula: C23H29N4O3S+ MolecularWeight: 441.56636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CCCNC(=O)C3=CC4=C(C=C3)SCC(=O)N4

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CCCNC(=O)C3=CC4=C(C=C3)SCC(=O)N4

InChI

InChI=1S/C23H28N4O3S/c1-30-19-6-4-18(5-7-19)27-13-11-26(12-14-27)10-2-9-24-23(29)17-3-8-21-20(15-17)25-22(28)16-31-21/h3-8,15H,2,9-14,16H2,1H3,(H,24,29)(H,25,28)/p+1