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

Systemtic Name: [(1S)-2-(4-azaniumylpiperidin-1-yl)-2-oxidanylidene-1-phenyl-ethyl]-butyl-ethyl-azanium Openeye Name: [(1S)-2-(4-azaniumyl-1-piperidyl)-2-oxo-1-phenyl-ethyl]-butyl-ethyl-ammonium CAS Name: [(1S)-2-(4-ammonio-1-piperidinyl)-2-oxo-1-phenylethyl]-butyl-ethylammonium IUPAC Name: [(1S)-2-(4-azaniumylpiperidin-1-yl)-2-oxo-1-phenylethyl]-butyl-ethylazanium Traditional Name: [(1S)-2-(4-ammoniopiperidino)-2-keto-1-phenyl-ethyl]-butyl-ethyl-ammonium Formula: C19H33N3O+2 MolecularWeight: 319.48482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31N3O/c1-3-5-13-21(4-2)18(16-9-7-6-8-10-16)19(23)22-14-11-17(20)12-15-22/h6-10,17-18H,3-5,11-15,20H2,1-2H3/p+2/t18-/m0/s1