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

Systemtic Name: N-[4-[(2S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-2-oxidanyl-propoxy]phenyl]ethanamide Openeye Name: N-[4-[(2S)-2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propoxy]phenyl]acetamide CAS Name: N-[4-[(2S)-2-hydroxy-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]propoxy]phenyl]acetamide IUPAC Name: N-[4-[(2S)-2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propoxy]phenyl]acetamide Traditional Name: N-[4-[(2S)-2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propoxy]phenyl]acetamide Formula: C22H30N3O4+ MolecularWeight: 400.4913

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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=C3OC)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OC[C@H](C[NH+]2CCN(CC2)C3=CC=CC=C3OC)O

InChI

InChI=1S/C22H29N3O4/c1-17(26)23-18-7-9-20(10-8-18)29-16-19(27)15-24-11-13-25(14-12-24)21-5-3-4-6-22(21)28-2/h3-10,19,27H,11-16H2,1-2H3,(H,23,26)/p+1/t19-/m0/s1