3-[[4-[(2,5-dimethylphenyl)methyl]-3-oxidanylidene-1,4-benzothiazin-6-yl]carbonylamino]propyl-dipropyl-azanium

Systemtic Name: 3-[[4-[(2,5-dimethylphenyl)methyl]-3-oxidanylidene-1,4-benzothiazin-6-yl]carbonylamino]propyl-dipropyl-azanium Openeye Name: 3-[[4-[(2,5-dimethylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carbonyl]amino]propyl-dipropyl-ammonium CAS Name: 3-[[[4-[(2,5-dimethylphenyl)methyl]-3-oxo-1,4-benzothiazin-6-yl]-oxomethyl]amino]propyl-dipropylammonium IUPAC Name: 3-[[4-[(2,5-dimethylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carbonyl]amino]propyl-dipropylazanium Traditional Name: 3-[[4-(2,5-dimethylbenzyl)-3-keto-1,4-benzothiazine-6-carbonyl]amino]propyl-dipropyl-ammonium Formula: C27H38N3O2S+ MolecularWeight: 468.67452

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CCCNC(=O)C1=CC2=C(C=C1)SCC(=O)N2CC3=C(C=CC(=C3)C)C

Isomeric SMILES

CCC[NH+](CCC)CCCNC(=O)C1=CC2=C(C=C1)SCC(=O)N2CC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C27H37N3O2S/c1-5-13-29(14-6-2)15-7-12-28-27(32)22-10-11-25-24(17-22)30(26(31)19-33-25)18-23-16-20(3)8-9-21(23)4/h8-11,16-17H,5-7,12-15,18-19H2,1-4H3,(H,28,32)/p+1