[1-[(2R)-2-(4-oxidanylidenepiperidin-1-ium-1-yl)-2-phenyl-ethanoyl]piperidin-4-yl]azanium

Systemtic Name: [1-[(2R)-2-(4-oxidanylidenepiperidin-1-ium-1-yl)-2-phenyl-ethanoyl]piperidin-4-yl]azanium Openeye Name: [1-[(2R)-2-(4-oxopiperidin-1-ium-1-yl)-2-phenyl-acetyl]-4-piperidyl]ammonium CAS Name: [1-[(2R)-1-oxo-2-(4-oxo-1-piperidin-1-iumyl)-2-phenylethyl]-4-piperidinyl]ammonium IUPAC Name: [1-[(2R)-2-(4-oxopiperidin-1-ium-1-yl)-2-phenylacetyl]piperidin-4-yl]azanium Traditional Name: [1-[(2R)-2-(4-ketopiperidin-1-ium-1-yl)-2-phenyl-acetyl]-4-piperidyl]ammonium Formula: C18H27N3O2+2 MolecularWeight: 317.42588

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH3+])C(=O)C(C2=CC=CC=C2)[NH+]3CCC(=O)CC3

Isomeric SMILES

C1CN(CCC1[NH3+])C(=O)[C@@H](C2=CC=CC=C2)[NH+]3CCC(=O)CC3

InChI

InChI=1S/C18H25N3O2/c19-15-6-10-21(11-7-15)18(23)17(14-4-2-1-3-5-14)20-12-8-16(22)9-13-20/h1-5,15,17H,6-13,19H2/p+2/t17-/m1/s1