3-[methyl-[(2S,3S)-3-methyl-2-phenyl-pentanoyl]amino]propylazanium

Systemtic Name: 3-[methyl-[(2S,3S)-3-methyl-2-phenyl-pentanoyl]amino]propylazanium Openeye Name: 3-[methyl-[(2S,3S)-3-methyl-2-phenyl-pentanoyl]amino]propylammonium CAS Name: 3-[methyl-[(2S,3S)-3-methyl-1-oxo-2-phenylpentyl]amino]propylammonium IUPAC Name: 3-[methyl-[(2S,3S)-3-methyl-2-phenylpentanoyl]amino]propylazanium Traditional Name: 3-[methyl-[(2S,3S)-3-methyl-2-phenyl-pentanoyl]amino]propylammonium Formula: C16H27N2O+ MolecularWeight: 263.39838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C1=CC=CC=C1)C(=O)N(C)CCC[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O/c1-4-13(2)15(14-9-6-5-7-10-14)16(19)18(3)12-8-11-17/h5-7,9-10,13,15H,4,8,11-12,17H2,1-3H3/p+1/t13-,15-/m0/s1