[(1S)-2-(4-azaniumylpiperidin-1-yl)-2-oxidanylidene-1-phenyl-ethyl]-(2-hydroxyethyl)-methyl-azanium

Systemtic Name: [(1S)-2-(4-azaniumylpiperidin-1-yl)-2-oxidanylidene-1-phenyl-ethyl]-(2-hydroxyethyl)-methyl-azanium Openeye Name: [(1S)-2-(4-azaniumyl-1-piperidyl)-2-oxo-1-phenyl-ethyl]-(2-hydroxyethyl)-methyl-ammonium CAS Name: [(1S)-2-(4-ammonio-1-piperidinyl)-2-oxo-1-phenylethyl]-(2-hydroxyethyl)-methylammonium IUPAC Name: [(1S)-2-(4-azaniumylpiperidin-1-yl)-2-oxo-1-phenylethyl]-(2-hydroxyethyl)-methylazanium Traditional Name: [(1S)-2-(4-ammoniopiperidino)-2-keto-1-phenyl-ethyl]-(2-hydroxyethyl)-methyl-ammonium Formula: C16H27N3O2+2 MolecularWeight: 293.40448

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCO)C(C1=CC=CC=C1)C(=O)N2CCC(CC2)[NH3+]

Isomeric SMILES

C[NH+](CCO)[C@@H](C1=CC=CC=C1)C(=O)N2CCC(CC2)[NH3+]

InChI

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