N-[3-(azepan-1-ium-1-yl)propyl]-4-[(2,5-dimethylphenyl)methyl]-3-oxidanylidene-1,4-benzothiazine-6-carboxamide

Systemtic Name: N-[3-(azepan-1-ium-1-yl)propyl]-4-[(2,5-dimethylphenyl)methyl]-3-oxidanylidene-1,4-benzothiazine-6-carboxamide Openeye Name: N-[3-(azepan-1-ium-1-yl)propyl]-4-[(2,5-dimethylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide CAS Name: N-[3-(1-azepan-1-iumyl)propyl]-4-[(2,5-dimethylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide IUPAC Name: N-[3-(azepan-1-ium-1-yl)propyl]-4-[(2,5-dimethylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide Traditional Name: N-[3-(azepan-1-ium-1-yl)propyl]-4-(2,5-dimethylbenzyl)-3-keto-1,4-benzothiazine-6-carboxamide Formula: C27H36N3O2S+ MolecularWeight: 466.65864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C(=O)CSC3=C2C=C(C=C3)C(=O)NCCC[NH+]4CCCCCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C(=O)CSC3=C2C=C(C=C3)C(=O)NCCC[NH+]4CCCCCC4

InChI

InChI=1S/C27H35N3O2S/c1-20-8-9-21(2)23(16-20)18-30-24-17-22(10-11-25(24)33-19-26(30)31)27(32)28-12-7-15-29-13-5-3-4-6-14-29/h8-11,16-17H,3-7,12-15,18-19H2,1-2H3,(H,28,32)/p+1