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

Systemtic Name: methyl-[(2S)-2-oxidanyl-3-[4-(2-phenylethanoyl)piperazin-1-yl]propyl]azanium Openeye Name: [(2S)-2-hydroxy-3-[4-(2-phenylacetyl)piperazin-1-yl]propyl]-methyl-ammonium CAS Name: [(2S)-2-hydroxy-3-[4-(1-oxo-2-phenylethyl)-1-piperazinyl]propyl]-methylammonium IUPAC Name: [(2S)-2-hydroxy-3-[4-(2-phenylacetyl)piperazin-1-yl]propyl]-methylazanium Traditional Name: [(2S)-2-hydroxy-3-[4-(2-phenylacetyl)piperazino]propyl]-methyl-ammonium Formula: C16H26N3O2+ MolecularWeight: 292.39654

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CC(CN1CCN(CC1)C(=O)CC2=CC=CC=C2)O

Isomeric SMILES

C[NH2+]C[C@@H](CN1CCN(CC1)C(=O)CC2=CC=CC=C2)O

InChI

InChI=1S/C16H25N3O2/c1-17-12-15(20)13-18-7-9-19(10-8-18)16(21)11-14-5-3-2-4-6-14/h2-6,15,17,20H,7-13H2,1H3/p+1/t15-/m0/s1