[(4S)-4-[[(2R)-2-azaniumyl-2-phenyl-ethanoyl]amino]pentyl]-diethyl-azanium

Systemtic Name: [(4S)-4-[[(2R)-2-azaniumyl-2-phenyl-ethanoyl]amino]pentyl]-diethyl-azanium Openeye Name: [(4S)-4-[[(2R)-2-azaniumyl-2-phenyl-acetyl]amino]pentyl]-diethyl-ammonium CAS Name: [(4S)-4-[[(2R)-2-ammonio-1-oxo-2-phenylethyl]amino]pentyl]-diethylammonium IUPAC Name: [(4S)-4-[[(2R)-2-azaniumyl-2-phenylacetyl]amino]pentyl]-diethylazanium Traditional Name: [(4S)-4-[[(2R)-2-ammonio-2-phenyl-acetyl]amino]pentyl]-diethyl-ammonium Formula: C17H31N3O+2 MolecularWeight: 293.44754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29N3O/c1-4-20(5-2)13-9-10-14(3)19-17(21)16(18)15-11-7-6-8-12-15/h6-8,11-12,14,16H,4-5,9-10,13,18H2,1-3H3,(H,19,21)/p+2/t14-,16+/m0/s1