methyl-[(2S)-2-oxidanyl-3-[4-(phenylcarbonyl)piperazin-1-yl]propyl]azanium

Systemtic Name: methyl-[(2S)-2-oxidanyl-3-[4-(phenylcarbonyl)piperazin-1-yl]propyl]azanium Openeye Name: [(2S)-3-(4-benzoylpiperazin-1-yl)-2-hydroxy-propyl]-methyl-ammonium CAS Name: [(2S)-3-(4-benzoyl-1-piperazinyl)-2-hydroxypropyl]-methylammonium IUPAC Name: [(2S)-3-(4-benzoylpiperazin-1-yl)-2-hydroxypropyl]-methylazanium Traditional Name: [(2S)-3-(4-benzoylpiperazino)-2-hydroxy-propyl]-methyl-ammonium Formula: C15H24N3O2+ MolecularWeight: 278.36996

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CC(CN1CCN(CC1)C(=O)C2=CC=CC=C2)O

Isomeric SMILES

C[NH2+]C[C@@H](CN1CCN(CC1)C(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C15H23N3O2/c1-16-11-14(19)12-17-7-9-18(10-8-17)15(20)13-5-3-2-4-6-13/h2-6,14,16,19H,7-12H2,1H3/p+1/t14-/m0/s1