4-(3,4-dimethoxyphenyl)-3-(furan-2-ylmethyl)-N-phenyl-1,3-thiazol-3-ium-2-amine

Systemtic Name: 4-(3,4-dimethoxyphenyl)-3-(furan-2-ylmethyl)-N-phenyl-1,3-thiazol-3-ium-2-amine Openeye Name: 4-(3,4-dimethoxyphenyl)-3-(2-furylmethyl)-N-phenyl-thiazol-3-ium-2-amine CAS Name: 4-(3,4-dimethoxyphenyl)-3-(2-furanylmethyl)-N-phenyl-2-thiazol-3-iumamine IUPAC Name: 4-(3,4-dimethoxyphenyl)-3-(furan-2-ylmethyl)-N-phenyl-1,3-thiazol-3-ium-2-amine Traditional Name: [4-(3,4-dimethoxyphenyl)-3-(2-furfuryl)thiazol-3-ium-2-yl]-phenyl-amine Formula: C22H21N2O3S+ MolecularWeight: 393.47874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=[N+]2CC3=CC=CO3)NC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=[N+]2CC3=CC=CO3)NC4=CC=CC=C4)OC

InChI

InChI=1S/C22H20N2O3S/c1-25-20-11-10-16(13-21(20)26-2)19-15-28-22(23-17-7-4-3-5-8-17)24(19)14-18-9-6-12-27-18/h3-13,15H,14H2,1-2H3/p+1