dimethyl-[2-[[4-[(2-methylphenyl)methyl]-3-oxidanylidene-1,4-benzothiazin-6-yl]carbonylamino]ethyl]azanium

Systemtic Name: dimethyl-[2-[[4-[(2-methylphenyl)methyl]-3-oxidanylidene-1,4-benzothiazin-6-yl]carbonylamino]ethyl]azanium Openeye Name: dimethyl-[2-[[4-(o-tolylmethyl)-3-oxo-1,4-benzothiazine-6-carbonyl]amino]ethyl]ammonium CAS Name: dimethyl-[2-[[[4-[(2-methylphenyl)methyl]-3-oxo-1,4-benzothiazin-6-yl]-oxomethyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[[4-[(2-methylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carbonyl]amino]ethyl]azanium Traditional Name: 2-[[3-keto-4-(2-methylbenzyl)-1,4-benzothiazine-6-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C21H26N3O2S+ MolecularWeight: 384.51504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C(=O)CSC3=C2C=C(C=C3)C(=O)NCC[NH+](C)C

Isomeric SMILES

CC1=CC=CC=C1CN2C(=O)CSC3=C2C=C(C=C3)C(=O)NCC[NH+](C)C

InChI

InChI=1S/C21H25N3O2S/c1-15-6-4-5-7-17(15)13-24-18-12-16(21(26)22-10-11-23(2)3)8-9-19(18)27-14-20(24)25/h4-9,12H,10-11,13-14H2,1-3H3,(H,22,26)/p+1