(2S)-N-(ethylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-2-phenyl-ethanamide

Systemtic Name: (2S)-N-(ethylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-2-phenyl-ethanamide Openeye Name: (2S)-N-(ethylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-2-phenyl-acetamide CAS Name: (2S)-N-(ethylcarbamoyl)-2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-2-phenylacetamide IUPAC Name: (2S)-N-(ethylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-2-phenylacetamide Traditional Name: (2S)-N-(ethylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-2-phenyl-acetamide Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCNC(=O)NC(=O)[C@H](C1=CC=CC=C1)[NH+]2CCN(CC2)C3=CC=C(C=C3)O

InChI

InChI=1S/C21H26N4O3/c1-2-22-21(28)23-20(27)19(16-6-4-3-5-7-16)25-14-12-24(13-15-25)17-8-10-18(26)11-9-17/h3-11,19,26H,2,12-15H2,1H3,(H2,22,23,27,28)/p+1/t19-/m0/s1