2-[2-(3-oxidanylidene-4H-1,4-benzothiazin-2-ylidene)ethanoylamino]ethyl-(phenylmethyl)-propan-2-yl-azanium

Systemtic Name: 2-[2-(3-oxidanylidene-4H-1,4-benzothiazin-2-ylidene)ethanoylamino]ethyl-(phenylmethyl)-propan-2-yl-azanium Openeye Name: benzyl-isopropyl-[2-[[2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetyl]amino]ethyl]ammonium CAS Name: 2-[[1-oxo-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)ethyl]amino]ethyl-(phenylmethyl)-propan-2-ylammonium IUPAC Name: benzyl-[2-[[2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetyl]amino]ethyl]-propan-2-ylazanium Traditional Name: benzyl-isopropyl-[2-[[2-(3-keto-4H-1,4-benzothiazin-2-ylidene)acetyl]amino]ethyl]ammonium Formula: C22H26N3O2S+ MolecularWeight: 396.52574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCNC(=O)C=C1C(=O)NC2=CC=CC=C2S1)CC3=CC=CC=C3

Isomeric SMILES

CC(C)[NH+](CCNC(=O)C=C1C(=O)NC2=CC=CC=C2S1)CC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O2S/c1-16(2)25(15-17-8-4-3-5-9-17)13-12-23-21(26)14-20-22(27)24-18-10-6-7-11-19(18)28-20/h3-11,14,16H,12-13,15H2,1-2H3,(H,23,26)(H,24,27)/p+1