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

Systemtic Name: 4-[(3-methylphenyl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)-3-oxidanylidene-2-(phenylmethylidene)-1,4-benzothiazine-6-carboxamide Openeye Name: 2-benzylidene-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-2-(phenylmethylene)-1,4-benzothiazine-6-carboxamide IUPAC Name: 2-benzylidene-4-[(3-methylphenyl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)-3-oxo-1,4-benzothiazine-6-carboxamide Traditional Name: 2-benzal-3-keto-4-(3-methylbenzyl)-N-(2-morpholin-4-ium-4-ylethyl)-1,4-benzothiazine-6-carboxamide Formula: C30H32N3O3S+ MolecularWeight: 514.65838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(C=CC(=C3)C(=O)NCC[NH+]4CCOCC4)SC(=CC5=CC=CC=C5)C2=O

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(C=CC(=C3)C(=O)NCC[NH+]4CCOCC4)SC(=CC5=CC=CC=C5)C2=O

InChI

InChI=1S/C30H31N3O3S/c1-22-6-5-9-24(18-22)21-33-26-20-25(29(34)31-12-13-32-14-16-36-17-15-32)10-11-27(26)37-28(30(33)35)19-23-7-3-2-4-8-23/h2-11,18-20H,12-17,21H2,1H3,(H,31,34)/p+1