N-(2-methoxyphenyl)-2-[2-methoxy-4-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-phenoxy]ethanamide

Systemtic Name: N-(2-methoxyphenyl)-2-[2-methoxy-4-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-phenoxy]ethanamide Openeye Name: N-(2-methoxyphenyl)-2-[2-methoxy-4-[4-(2-thienylmethyl)piperazin-4-ium-1-carbonyl]phenoxy]acetamide CAS Name: 2-[2-methoxy-4-[oxo-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methyl]phenoxy]-N-(2-methoxyphenyl)acetamide IUPAC Name: N-(2-methoxyphenyl)-2-[2-methoxy-4-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbonyl]phenoxy]acetamide Traditional Name: N-(2-methoxyphenyl)-2-[2-methoxy-4-[4-(2-thenyl)piperazin-4-ium-1-carbonyl]phenoxy]acetamide Formula: C26H30N3O5S+ MolecularWeight: 496.5985

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CS4)OC

Isomeric SMILES

COC1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CS4)OC

InChI

InChI=1S/C26H29N3O5S/c1-32-22-8-4-3-7-21(22)27-25(30)18-34-23-10-9-19(16-24(23)33-2)26(31)29-13-11-28(12-14-29)17-20-6-5-15-35-20/h3-10,15-16H,11-14,17-18H2,1-2H3,(H,27,30)/p+1