3-(1,3-benzothiazol-2-yl)-1-methyl-N-(3-nitrophenyl)-3-oxidanidyl-imidazolidin-3-ium-4-amine

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-1-methyl-N-(3-nitrophenyl)-3-oxidanidyl-imidazolidin-3-ium-4-amine Openeye Name: 3-(1,3-benzothiazol-2-yl)-1-methyl-N-(3-nitrophenyl)-3-oxido-imidazolidin-3-ium-4-amine CAS Name: 3-(1,3-benzothiazol-2-yl)-1-methyl-N-(3-nitrophenyl)-3-oxido-4-imidazolidin-3-iumamine IUPAC Name: 3-(1,3-benzothiazol-2-yl)-1-methyl-N-(3-nitrophenyl)-3-oxidoimidazolidin-3-ium-4-amine Traditional Name: [3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl]-(3-nitrophenyl)amine Formula: C17H17N5O3S MolecularWeight: 371.41358

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC([N+](C1)(C2=NC3=CC=CC=C3S2)[O-])NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1CC([N+](C1)(C2=NC3=CC=CC=C3S2)[O-])NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O3S/c1-20-10-16(18-12-5-4-6-13(9-12)21(23)24)22(25,11-20)17-19-14-7-2-3-8-15(14)26-17/h2-9,16,18H,10-11H2,1H3