[(2S)-1-(4-azaniumylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]-methyl-(phenylmethyl)azanium

Systemtic Name: [(2S)-1-(4-azaniumylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]-methyl-(phenylmethyl)azanium Openeye Name: [(1S)-2-(4-azaniumyl-1-piperidyl)-1-methyl-2-oxo-ethyl]-benzyl-methyl-ammonium CAS Name: [(2S)-1-(4-ammonio-1-piperidinyl)-1-oxopropan-2-yl]-methyl-(phenylmethyl)ammonium IUPAC Name: [(2S)-1-(4-azaniumylpiperidin-1-yl)-1-oxopropan-2-yl]-benzyl-methylazanium Traditional Name: [(1S)-2-(4-ammoniopiperidino)-2-keto-1-methyl-ethyl]-benzyl-methyl-ammonium Formula: C16H27N3O+2 MolecularWeight: 277.40508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)[NH3+])[NH+](C)CC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)N1CCC(CC1)[NH3+])[NH+](C)CC2=CC=CC=C2

InChI

InChI=1S/C16H25N3O/c1-13(16(20)19-10-8-15(17)9-11-19)18(2)12-14-6-4-3-5-7-14/h3-7,13,15H,8-12,17H2,1-2H3/p+2/t13-/m0/s1