4-[(3-methylphenyl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)-3-oxidanylidene-1,4-benzothiazine-6-carboxamide

Systemtic Name: 4-[(3-methylphenyl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)-3-oxidanylidene-1,4-benzothiazine-6-carboxamide Openeye Name: N-(2-morpholin-4-ium-4-ylethyl)-4-(m-tolylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide CAS Name: 4-[(3-methylphenyl)methyl]-N-[2-(4-morpholin-4-iumyl)ethyl]-3-oxo-1,4-benzothiazine-6-carboxamide IUPAC Name: 4-[(3-methylphenyl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)-3-oxo-1,4-benzothiazine-6-carboxamide Traditional Name: 3-keto-4-(3-methylbenzyl)-N-(2-morpholin-4-ium-4-ylethyl)-1,4-benzothiazine-6-carboxamide Formula: C23H28N3O3S+ MolecularWeight: 426.55172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C(=O)CSC3=C2C=C(C=C3)C(=O)NCC[NH+]4CCOCC4

Isomeric SMILES

CC1=CC(=CC=C1)CN2C(=O)CSC3=C2C=C(C=C3)C(=O)NCC[NH+]4CCOCC4

InChI

InChI=1S/C23H27N3O3S/c1-17-3-2-4-18(13-17)15-26-20-14-19(5-6-21(20)30-16-22(26)27)23(28)24-7-8-25-9-11-29-12-10-25/h2-6,13-14H,7-12,15-16H2,1H3,(H,24,28)/p+1