3-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-nitrophenyl)-N-phenyl-1,3-thiazol-3-ium-2-amine

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-nitrophenyl)-N-phenyl-1,3-thiazol-3-ium-2-amine Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-nitrophenyl)-N-phenyl-thiazol-3-ium-2-amine CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-nitrophenyl)-N-phenyl-2-thiazol-3-iumamine IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-nitrophenyl)-N-phenyl-1,3-thiazol-3-ium-2-amine Traditional Name: [3-homoveratryl-4-(4-nitrophenyl)thiazol-3-ium-2-yl]-phenyl-amine Formula: C25H24N3O4S+ MolecularWeight: 462.54076

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[N+]2=C(SC=C2C3=CC=C(C=C3)[N+](=O)[O-])NC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC[N+]2=C(SC=C2C3=CC=C(C=C3)[N+](=O)[O-])NC4=CC=CC=C4)OC

InChI

InChI=1S/C25H23N3O4S/c1-31-23-13-8-18(16-24(23)32-2)14-15-27-22(19-9-11-21(12-10-19)28(29)30)17-33-25(27)26-20-6-4-3-5-7-20/h3-13,16-17H,14-15H2,1-2H3/p+1