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

Systemtic Name: N-[4-[(2S)-3-(4-methylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]ethanamide Openeye Name: N-[4-[(2S)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]phenyl]acetamide CAS Name: N-[4-[(2S)-2-hydroxy-3-(4-methyl-1-piperazin-4-iumyl)propoxy]phenyl]acetamide IUPAC Name: N-[4-[(2S)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]phenyl]acetamide Traditional Name: N-[4-[(2S)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]phenyl]acetamide Formula: C16H26N3O3+ MolecularWeight: 308.39594

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OCC(CN2CC[NH+](CC2)C)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OC[C@H](CN2CC[NH+](CC2)C)O

InChI

InChI=1S/C16H25N3O3/c1-13(20)17-14-3-5-16(6-4-14)22-12-15(21)11-19-9-7-18(2)8-10-19/h3-6,15,21H,7-12H2,1-2H3,(H,17,20)/p+1/t15-/m0/s1