2-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-ium-1-yl]-N-(4-phenoxyphenyl)ethanamide

Systemtic Name: 2-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-ium-1-yl]-N-(4-phenoxyphenyl)ethanamide Openeye Name: 2-[4-[4-(3-methoxyphenyl)thiazol-2-yl]piperazin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide CAS Name: 2-[4-[4-(3-methoxyphenyl)-2-thiazolyl]-1-piperazin-1-iumyl]-N-(4-phenoxyphenyl)acetamide IUPAC Name: 2-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide Traditional Name: 2-[4-[4-(3-methoxyphenyl)thiazol-2-yl]piperazin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide Formula: C28H29N4O3S+ MolecularWeight: 501.61986

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CSC(=N2)N3CC[NH+](CC3)CC(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)C2=CSC(=N2)N3CC[NH+](CC3)CC(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C28H28N4O3S/c1-34-25-9-5-6-21(18-25)26-20-36-28(30-26)32-16-14-31(15-17-32)19-27(33)29-22-10-12-24(13-11-22)35-23-7-3-2-4-8-23/h2-13,18,20H,14-17,19H2,1H3,(H,29,33)/p+1