N-(3,4-dimethoxyphenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3,4-dimethoxyphenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3,4-dimethoxyphenyl)-2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3,4-dimethoxyphenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3,4-dimethoxyphenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C20H26N3O4+ MolecularWeight: 372.43814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3O)OC

InChI

InChI=1S/C20H25N3O4/c1-26-18-8-7-15(13-19(18)27-2)21-20(25)14-22-9-11-23(12-10-22)16-5-3-4-6-17(16)24/h3-8,13,24H,9-12,14H2,1-2H3,(H,21,25)/p+1