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

Systemtic Name: (2S)-N,N-diethyl-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-2-phenyl-ethanamide Openeye Name: (2S)-N,N-diethyl-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-2-phenyl-acetamide CAS Name: (2S)-N,N-diethyl-2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-2-phenylacetamide IUPAC Name: (2S)-N,N-diethyl-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-2-phenylacetamide Traditional Name: (2S)-N,N-diethyl-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-2-phenyl-acetamide Formula: C22H30N3O2+ MolecularWeight: 368.4925

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O2/c1-3-23(4-2)22(27)21(18-8-6-5-7-9-18)25-16-14-24(15-17-25)19-10-12-20(26)13-11-19/h5-13,21,26H,3-4,14-17H2,1-2H3/p+1/t21-/m0/s1