methyl-[2-[[4-[(3-oxidanylidene-4H-1,4-benzothiazin-2-ylidene)methyl]phenyl]carbonylamino]ethyl]-phenethyl-azanium

Systemtic Name: methyl-[2-[[4-[(3-oxidanylidene-4H-1,4-benzothiazin-2-ylidene)methyl]phenyl]carbonylamino]ethyl]-phenethyl-azanium Openeye Name: methyl-[2-[[4-[(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]benzoyl]amino]ethyl]-phenethyl-ammonium CAS Name: methyl-[2-[[oxo-[4-[(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]phenyl]methyl]amino]ethyl]-phenethylammonium IUPAC Name: methyl-[2-[[4-[(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]benzoyl]amino]ethyl]-phenethylazanium Traditional Name: 2-[[4-[(3-keto-4H-1,4-benzothiazin-2-ylidene)methyl]benzoyl]amino]ethyl-methyl-phenethyl-ammonium Formula: C27H28N3O2S+ MolecularWeight: 458.59512

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=C1)CCNC(=O)C2=CC=C(C=C2)C=C3C(=O)NC4=CC=CC=C4S3

Isomeric SMILES

C[NH+](CCC1=CC=CC=C1)CCNC(=O)C2=CC=C(C=C2)C=C3C(=O)NC4=CC=CC=C4S3

InChI

InChI=1S/C27H27N3O2S/c1-30(17-15-20-7-3-2-4-8-20)18-16-28-26(31)22-13-11-21(12-14-22)19-25-27(32)29-23-9-5-6-10-24(23)33-25/h2-14,19H,15-18H2,1H3,(H,28,31)(H,29,32)/p+1