3-[[(2R)-2-azaniumyl-3-phenyl-propanoyl]amino]propyl-diethyl-azanium

Systemtic Name: 3-[[(2R)-2-azaniumyl-3-phenyl-propanoyl]amino]propyl-diethyl-azanium Openeye Name: 3-[[(2R)-2-azaniumyl-3-phenyl-propanoyl]amino]propyl-diethyl-ammonium CAS Name: 3-[[(2R)-2-ammonio-1-oxo-3-phenylpropyl]amino]propyl-diethylammonium IUPAC Name: 3-[[(2R)-2-azaniumyl-3-phenylpropanoyl]amino]propyl-diethylazanium Traditional Name: 3-[[(2R)-2-ammonio-3-phenyl-propanoyl]amino]propyl-diethyl-ammonium Formula: C16H29N3O+2 MolecularWeight: 279.42096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N3O/c1-3-19(4-2)12-8-11-18-16(20)15(17)13-14-9-6-5-7-10-14/h5-7,9-10,15H,3-4,8,11-13,17H2,1-2H3,(H,18,20)/p+2/t15-/m1/s1