N-(2-methoxyphenyl)-2-[2-methoxy-4-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]carbonyl-phenoxy]ethanamide

Systemtic Name: N-(2-methoxyphenyl)-2-[2-methoxy-4-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]carbonyl-phenoxy]ethanamide Openeye Name: N-(2-methoxyphenyl)-2-[2-methoxy-4-[4-(3-thienylmethyl)piperazin-4-ium-1-carbonyl]phenoxy]acetamide CAS Name: 2-[2-methoxy-4-[oxo-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methyl]phenoxy]-N-(2-methoxyphenyl)acetamide IUPAC Name: N-(2-methoxyphenyl)-2-[2-methoxy-4-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbonyl]phenoxy]acetamide Traditional Name: N-(2-methoxyphenyl)-2-[2-methoxy-4-[4-(3-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=CSC=C4)OC

Isomeric SMILES

COC1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CSC=C4)OC

InChI

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