[1-[[(2S)-2-azaniumyl-3-phenyl-propanoyl]amino]-2-methyl-propan-2-yl]-diethyl-azanium

Systemtic Name: [1-[[(2S)-2-azaniumyl-3-phenyl-propanoyl]amino]-2-methyl-propan-2-yl]-diethyl-azanium Openeye Name: [2-[[(2S)-2-azaniumyl-3-phenyl-propanoyl]amino]-1,1-dimethyl-ethyl]-diethyl-ammonium CAS Name: [1-[[(2S)-2-ammonio-1-oxo-3-phenylpropyl]amino]-2-methylpropan-2-yl]-diethylammonium IUPAC Name: [1-[[(2S)-2-azaniumyl-3-phenylpropanoyl]amino]-2-methylpropan-2-yl]-diethylazanium Traditional Name: [2-[[(2S)-2-ammonio-3-phenyl-propanoyl]amino]-1,1-dimethyl-ethyl]-diethyl-ammonium Formula: C17H31N3O+2 MolecularWeight: 293.44754

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(C)(C)CNC(=O)C(CC1=CC=CC=C1)[NH3+]

Isomeric SMILES

CC[NH+](CC)C(C)(C)CNC(=O)[C@H](CC1=CC=CC=C1)[NH3+]

InChI

InChI=1S/C17H29N3O/c1-5-20(6-2)17(3,4)13-19-16(21)15(18)12-14-10-8-7-9-11-14/h7-11,15H,5-6,12-13,18H2,1-4H3,(H,19,21)/p+2/t15-/m0/s1