N-[2-(2,4-dimethylphenoxy)ethyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[2-(2,4-dimethylphenoxy)ethyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[2-(2,4-dimethylphenoxy)ethyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[2-(2,4-dimethylphenoxy)ethyl]-2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(2,4-dimethylphenoxy)ethyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[2-(2,4-dimethylphenoxy)ethyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C22H30N3O3+ MolecularWeight: 384.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCNC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3O)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCCNC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3O)C

InChI

InChI=1S/C22H29N3O3/c1-17-7-8-21(18(2)15-17)28-14-9-23-22(27)16-24-10-12-25(13-11-24)19-5-3-4-6-20(19)26/h3-8,15,26H,9-14,16H2,1-2H3,(H,23,27)/p+1