4-(3,4-dimethoxyphenyl)-2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-1,3-thiazole

Systemtic Name: 4-(3,4-dimethoxyphenyl)-2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-1,3-thiazole Openeye Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-4-(3,4-dimethoxyphenyl)thiazole CAS Name: 4-(3,4-dimethoxyphenyl)-2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]thiazole IUPAC Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-4-(3,4-dimethoxyphenyl)-1,3-thiazole Traditional Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-4-(3,4-dimethoxyphenyl)thiazole Formula: C28H30N3O2S+ MolecularWeight: 472.6217

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)OC

InChI

InChI=1S/C28H29N3O2S/c1-32-25-14-13-23(19-26(25)33-2)24-20-34-28(29-24)31-17-15-30(16-18-31)27(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,19-20,27H,15-18H2,1-2H3/p+1