2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]-3-oxidanylidene-N-(phenylmethyl)-4H-1,4-benzothiazine-6-carboxamide

Systemtic Name: 2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]-3-oxidanylidene-N-(phenylmethyl)-4H-1,4-benzothiazine-6-carboxamide Openeye Name: N-benzyl-2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide CAS Name: 2-[4-(4-chlorophenyl)-1-piperazin-1-iumyl]-3-oxo-N-(phenylmethyl)-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: N-benzyl-2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide Traditional Name: N-benzyl-2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]-3-keto-4H-1,4-benzothiazine-6-carboxamide Formula: C26H26ClN4O2S+ MolecularWeight: 494.02824

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2C(=O)NC3=C(S2)C=CC(=C3)C(=O)NCC4=CC=CC=C4)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CC[NH+]1C2C(=O)NC3=C(S2)C=CC(=C3)C(=O)NCC4=CC=CC=C4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H25ClN4O2S/c27-20-7-9-21(10-8-20)30-12-14-31(15-13-30)26-25(33)29-22-16-19(6-11-23(22)34-26)24(32)28-17-18-4-2-1-3-5-18/h1-11,16,26H,12-15,17H2,(H,28,32)(H,29,33)/p+1