[(2S,3S)-3-methyl-1-oxidanylidene-1-[(phenylmethyl)-propan-2-yl-amino]pentan-2-yl]azanium

Systemtic Name: [(2S,3S)-3-methyl-1-oxidanylidene-1-[(phenylmethyl)-propan-2-yl-amino]pentan-2-yl]azanium Openeye Name: [(1S,2S)-1-[benzyl(isopropyl)carbamoyl]-2-methyl-butyl]ammonium CAS Name: [(2S,3S)-3-methyl-1-oxo-1-[(phenylmethyl)-propan-2-ylamino]pentan-2-yl]ammonium IUPAC Name: [(2S,3S)-1-[benzyl(propan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]azanium Traditional Name: [(1S,2S)-1-[benzyl(isopropyl)carbamoyl]-2-methyl-butyl]ammonium Formula: C16H27N2O+ MolecularWeight: 263.39838

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N(CC1=CC=CC=C1)C(C)C)[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O/c1-5-13(4)15(17)16(19)18(12(2)3)11-14-9-7-6-8-10-14/h6-10,12-13,15H,5,11,17H2,1-4H3/p+1/t13-,15-/m0/s1