methyl-[2-[(3-oxidanylidene-4-prop-2-enyl-1,4-benzothiazin-6-yl)carbonylamino]ethyl]-(phenylmethyl)azanium

Systemtic Name: methyl-[2-[(3-oxidanylidene-4-prop-2-enyl-1,4-benzothiazin-6-yl)carbonylamino]ethyl]-(phenylmethyl)azanium Openeye Name: 2-[(4-allyl-3-oxo-1,4-benzothiazine-6-carbonyl)amino]ethyl-benzyl-methyl-ammonium CAS Name: methyl-[2-[[oxo-(3-oxo-4-prop-2-enyl-1,4-benzothiazin-6-yl)methyl]amino]ethyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[2-[(3-oxo-4-prop-2-enyl-1,4-benzothiazine-6-carbonyl)amino]ethyl]azanium Traditional Name: 2-[(4-allyl-3-keto-1,4-benzothiazine-6-carbonyl)amino]ethyl-benzyl-methyl-ammonium Formula: C22H26N3O2S+ MolecularWeight: 396.52574

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCNC(=O)C1=CC2=C(C=C1)SCC(=O)N2CC=C)CC3=CC=CC=C3

Isomeric SMILES

C[NH+](CCNC(=O)C1=CC2=C(C=C1)SCC(=O)N2CC=C)CC3=CC=CC=C3

InChI

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