[4-[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-oxidanyl-propyl]piperazin-4-ium-1-yl]-phenyl-methanone

Systemtic Name: [4-[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-oxidanyl-propyl]piperazin-4-ium-1-yl]-phenyl-methanone Openeye Name: [4-[(2S)-3-tert-butoxy-2-hydroxy-propyl]piperazin-4-ium-1-yl]-phenyl-methanone CAS Name: [4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]-1-piperazin-4-iumyl]-phenylmethanone IUPAC Name: [4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-4-ium-1-yl]-phenylmethanone Traditional Name: [4-[(2S)-3-tert-butoxy-2-hydroxy-propyl]piperazin-4-ium-1-yl]-phenyl-methanone Formula: C18H29N2O3+ MolecularWeight: 321.43446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OCC(C[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2)O

Isomeric SMILES

CC(C)(C)OC[C@H](C[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C18H28N2O3/c1-18(2,3)23-14-16(21)13-19-9-11-20(12-10-19)17(22)15-7-5-4-6-8-15/h4-8,16,21H,9-14H2,1-3H3/p+1/t16-/m0/s1