N-(2-ethylphenyl)-2-[4-[(2R)-2-oxidanyl-2-phenyl-ethyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-[(2R)-2-oxidanyl-2-phenyl-ethyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-[(2R)-2-hydroxy-2-phenyl-ethyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[(2R)-2-hydroxy-2-phenylethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-[(2R)-2-hydroxy-2-phenyl-ethyl]piperazin-1-ium-1-yl]acetamide Formula: C22H30N3O2+ MolecularWeight: 368.4925

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)CC(C3=CC=CC=C3)O

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C[C@@H](C3=CC=CC=C3)O

InChI

InChI=1S/C22H29N3O2/c1-2-18-8-6-7-11-20(18)23-22(27)17-25-14-12-24(13-15-25)16-21(26)19-9-4-3-5-10-19/h3-11,21,26H,2,12-17H2,1H3,(H,23,27)/p+1/t21-/m0/s1