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

Systemtic Name: methyl-[(2S)-2-oxidanyl-3-[4-(3-phenylpropanoyl)piperazin-1-yl]propyl]azanium Openeye Name: [(2S)-2-hydroxy-3-[4-(3-phenylpropanoyl)piperazin-1-yl]propyl]-methyl-ammonium CAS Name: [(2S)-2-hydroxy-3-[4-(1-oxo-3-phenylpropyl)-1-piperazinyl]propyl]-methylammonium IUPAC Name: [(2S)-2-hydroxy-3-[4-(3-phenylpropanoyl)piperazin-1-yl]propyl]-methylazanium Traditional Name: [(2S)-3-(4-hydrocinnamoylpiperazino)-2-hydroxy-propyl]-methyl-ammonium Formula: C17H28N3O2+ MolecularWeight: 306.42312

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CC(CN1CCN(CC1)C(=O)CCC2=CC=CC=C2)O

Isomeric SMILES

C[NH2+]C[C@@H](CN1CCN(CC1)C(=O)CCC2=CC=CC=C2)O

InChI

InChI=1S/C17H27N3O2/c1-18-13-16(21)14-19-9-11-20(12-10-19)17(22)8-7-15-5-3-2-4-6-15/h2-6,16,18,21H,7-14H2,1H3/p+1/t16-/m0/s1