[(2S)-3-[5-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]-2-methoxy-phenoxy]-2-oxidanyl-propyl]-diethyl-azanium

Systemtic Name: [(2S)-3-[5-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]-2-methoxy-phenoxy]-2-oxidanyl-propyl]-diethyl-azanium Openeye Name: [(2S)-3-[5-[(4-acetylpiperazin-1-ium-1-yl)methyl]-2-methoxy-phenoxy]-2-hydroxy-propyl]-diethyl-ammonium CAS Name: [(2S)-3-[5-[(4-acetyl-1-piperazin-1-iumyl)methyl]-2-methoxyphenoxy]-2-hydroxypropyl]-diethylammonium IUPAC Name: [(2S)-3-[5-[(4-acetylpiperazin-1-ium-1-yl)methyl]-2-methoxyphenoxy]-2-hydroxypropyl]-diethylazanium Traditional Name: [(2S)-3-[5-[(4-acetylpiperazin-1-ium-1-yl)methyl]-2-methoxy-phenoxy]-2-hydroxy-propyl]-diethyl-ammonium Formula: C21H37N3O4+2 MolecularWeight: 395.53618

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(COC1=C(C=CC(=C1)C[NH+]2CCN(CC2)C(=O)C)OC)O

Isomeric SMILES

CC[NH+](CC)C[C@@H](COC1=C(C=CC(=C1)C[NH+]2CCN(CC2)C(=O)C)OC)O

InChI

InChI=1S/C21H35N3O4/c1-5-22(6-2)15-19(26)16-28-21-13-18(7-8-20(21)27-4)14-23-9-11-24(12-10-23)17(3)25/h7-8,13,19,26H,5-6,9-12,14-16H2,1-4H3/p+2/t19-/m0/s1