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

Systemtic Name: [(1S)-2-(4-azaniumylpiperidin-1-yl)-2-oxidanylidene-1-phenyl-ethyl]-ethyl-(2-hydroxyethyl)azanium Openeye Name: [(1S)-2-(4-azaniumyl-1-piperidyl)-2-oxo-1-phenyl-ethyl]-ethyl-(2-hydroxyethyl)ammonium CAS Name: [(1S)-2-(4-ammonio-1-piperidinyl)-2-oxo-1-phenylethyl]-ethyl-(2-hydroxyethyl)ammonium IUPAC Name: [(1S)-2-(4-azaniumylpiperidin-1-yl)-2-oxo-1-phenylethyl]-ethyl-(2-hydroxyethyl)azanium Traditional Name: [(1S)-2-(4-ammoniopiperidino)-2-keto-1-phenyl-ethyl]-ethyl-(2-hydroxyethyl)ammonium Formula: C17H29N3O2+2 MolecularWeight: 307.43106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O2/c1-2-19(12-13-21)16(14-6-4-3-5-7-14)17(22)20-10-8-15(18)9-11-20/h3-7,15-16,21H,2,8-13,18H2,1H3/p+2/t16-/m0/s1