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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31N3O/c1-3-12-21(13-4-2)18(16-8-6-5-7-9-16)19(23)22-14-10-17(20)11-15-22/h5-9,17-18H,3-4,10-15,20H2,1-2H3/p+2/t18-/m0/s1