4-[[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]methyl]morpholin-4-ium

Systemtic Name: 4-[[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]methyl]morpholin-4-ium Openeye Name: 4-[[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]methyl]morpholin-4-ium CAS Name: 4-[[4-(1,3-benzothiazol-2-ylthio)-3-nitrophenyl]methyl]morpholin-4-ium IUPAC Name: 4-[[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methyl]morpholin-4-ium Traditional Name: 4-[4-(1,3-benzothiazol-2-ylthio)-3-nitro-benzyl]morpholin-4-ium Formula: C18H18N3O3S2+ MolecularWeight: 388.48382

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC(=C(C=C2)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CC2=CC(=C(C=C2)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O3S2/c22-21(23)15-11-13(12-20-7-9-24-10-8-20)5-6-17(15)26-18-19-14-3-1-2-4-16(14)25-18/h1-6,11H,7-10,12H2/p+1