3-(2-methoxyethyl)-4-(3-nitrophenyl)-N-phenyl-1,3-thiazol-3-ium-2-amine

Systemtic Name: 3-(2-methoxyethyl)-4-(3-nitrophenyl)-N-phenyl-1,3-thiazol-3-ium-2-amine Openeye Name: 3-(2-methoxyethyl)-4-(3-nitrophenyl)-N-phenyl-thiazol-3-ium-2-amine CAS Name: 3-(2-methoxyethyl)-4-(3-nitrophenyl)-N-phenyl-2-thiazol-3-iumamine IUPAC Name: 3-(2-methoxyethyl)-4-(3-nitrophenyl)-N-phenyl-1,3-thiazol-3-ium-2-amine Traditional Name: [3-(2-methoxyethyl)-4-(3-nitrophenyl)thiazol-3-ium-2-yl]-phenyl-amine Formula: C18H18N3O3S+ MolecularWeight: 356.41882

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Descriptors Computed from Structure

Canonical SMILES:

COCC[N+]1=C(SC=C1C2=CC(=CC=C2)[N+](=O)[O-])NC3=CC=CC=C3

Isomeric SMILES

COCC[N+]1=C(SC=C1C2=CC(=CC=C2)[N+](=O)[O-])NC3=CC=CC=C3

InChI

InChI=1S/C18H17N3O3S/c1-24-11-10-20-17(14-6-5-9-16(12-14)21(22)23)13-25-18(20)19-15-7-3-2-4-8-15/h2-9,12-13H,10-11H2,1H3/p+1