1-[4-[(2S)-3-(3-ethanoylphenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-yl]-2-methyl-propan-1-one

Systemtic Name: 1-[4-[(2S)-3-(3-ethanoylphenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-yl]-2-methyl-propan-1-one Openeye Name: 1-[4-[(2S)-3-(3-acetylphenoxy)-2-hydroxy-propyl]piperazin-4-ium-1-yl]-2-methyl-propan-1-one CAS Name: 1-[4-[(2S)-3-(3-acetylphenoxy)-2-hydroxypropyl]-1-piperazin-4-iumyl]-2-methyl-1-propanone IUPAC Name: 1-[4-[(2S)-3-(3-acetylphenoxy)-2-hydroxypropyl]piperazin-4-ium-1-yl]-2-methylpropan-1-one Traditional Name: 1-[4-[(2S)-3-(3-acetylphenoxy)-2-hydroxy-propyl]piperazin-4-ium-1-yl]-2-methyl-propan-1-one Formula: C19H29N2O4+ MolecularWeight: 349.44456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CC[NH+](CC1)CC(COC2=CC=CC(=C2)C(=O)C)O

Isomeric SMILES

CC(C)C(=O)N1CC[NH+](CC1)C[C@@H](COC2=CC=CC(=C2)C(=O)C)O

InChI

InChI=1S/C19H28N2O4/c1-14(2)19(24)21-9-7-20(8-10-21)12-17(23)13-25-18-6-4-5-16(11-18)15(3)22/h4-6,11,14,17,23H,7-10,12-13H2,1-3H3/p+1/t17-/m0/s1