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

Systemtic Name: N-(3,4-diethoxyphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3,4-diethoxyphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3,4-diethoxyphenyl)-2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3,4-diethoxyphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3,4-diethoxyphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C22H30N3O4+ MolecularWeight: 400.4913

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)O)OCC

InChI

InChI=1S/C22H29N3O4/c1-3-28-20-10-5-17(15-21(20)29-4-2)23-22(27)16-24-11-13-25(14-12-24)18-6-8-19(26)9-7-18/h5-10,15,26H,3-4,11-14,16H2,1-2H3,(H,23,27)/p+1