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

Systemtic Name: 2-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-ium-1-yl]-N-(4-phenylmethoxyphenyl)ethanamide Openeye Name: N-(4-benzyloxyphenyl)-2-[4-[4-(3-methoxyphenyl)thiazol-2-yl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[4-(3-methoxyphenyl)-2-thiazolyl]-1-piperazin-1-iumyl]-N-(4-phenylmethoxyphenyl)acetamide IUPAC Name: 2-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-ium-1-yl]-N-(4-phenylmethoxyphenyl)acetamide Traditional Name: N-(4-benzoxyphenyl)-2-[4-[4-(3-methoxyphenyl)thiazol-2-yl]piperazin-1-ium-1-yl]acetamide Formula: C29H31N4O3S+ MolecularWeight: 515.64644

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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)OCC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)C2=CSC(=N2)N3CC[NH+](CC3)CC(=O)NC4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C29H30N4O3S/c1-35-26-9-5-8-23(18-26)27-21-37-29(31-27)33-16-14-32(15-17-33)19-28(34)30-24-10-12-25(13-11-24)36-20-22-6-3-2-4-7-22/h2-13,18,21H,14-17,19-20H2,1H3,(H,30,34)/p+1