N-[4-[(2S)-2-oxidanyl-3-(4-phenylpiperazin-1-ium-1-yl)propoxy]phenyl]ethanamide

Systemtic Name: N-[4-[(2S)-2-oxidanyl-3-(4-phenylpiperazin-1-ium-1-yl)propoxy]phenyl]ethanamide Openeye Name: N-[4-[(2S)-2-hydroxy-3-(4-phenylpiperazin-1-ium-1-yl)propoxy]phenyl]acetamide CAS Name: N-[4-[(2S)-2-hydroxy-3-(4-phenyl-1-piperazin-1-iumyl)propoxy]phenyl]acetamide IUPAC Name: N-[4-[(2S)-2-hydroxy-3-(4-phenylpiperazin-1-ium-1-yl)propoxy]phenyl]acetamide Traditional Name: N-[4-[(2S)-2-hydroxy-3-(4-phenylpiperazin-1-ium-1-yl)propoxy]phenyl]acetamide Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OCC(C[NH+]2CCN(CC2)C3=CC=CC=C3)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OC[C@H](C[NH+]2CCN(CC2)C3=CC=CC=C3)O

InChI

InChI=1S/C21H27N3O3/c1-17(25)22-18-7-9-21(10-8-18)27-16-20(26)15-23-11-13-24(14-12-23)19-5-3-2-4-6-19/h2-10,20,26H,11-16H2,1H3,(H,22,25)/p+1/t20-/m0/s1