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

Systemtic Name: 2-methyl-1-[4-[(2S)-2-oxidanyl-3-(2-propan-2-ylphenoxy)propyl]piperazin-4-ium-1-yl]propan-1-one Openeye Name: 1-[4-[(2S)-2-hydroxy-3-(2-isopropylphenoxy)propyl]piperazin-4-ium-1-yl]-2-methyl-propan-1-one CAS Name: 1-[4-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-1-piperazin-4-iumyl]-2-methyl-1-propanone IUPAC Name: 1-[4-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]piperazin-4-ium-1-yl]-2-methylpropan-1-one Traditional Name: 1-[4-[(2S)-2-hydroxy-3-(2-isopropylphenoxy)propyl]piperazin-4-ium-1-yl]-2-methyl-propan-1-one Formula: C20H33N2O3+ MolecularWeight: 349.48762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OCC(C[NH+]2CCN(CC2)C(=O)C(C)C)O

Isomeric SMILES

CC(C)C1=CC=CC=C1OC[C@H](C[NH+]2CCN(CC2)C(=O)C(C)C)O

InChI

InChI=1S/C20H32N2O3/c1-15(2)18-7-5-6-8-19(18)25-14-17(23)13-21-9-11-22(12-10-21)20(24)16(3)4/h5-8,15-17,23H,9-14H2,1-4H3/p+1/t17-/m0/s1