(2-methoxyphenyl)methyl-[(2S)-1-oxidanylidene-1-[[(2S)-pentan-2-yl]amino]propan-2-yl]azanium

Systemtic Name: (2-methoxyphenyl)methyl-[(2S)-1-oxidanylidene-1-[[(2S)-pentan-2-yl]amino]propan-2-yl]azanium Openeye Name: (2-methoxyphenyl)methyl-[(1S)-1-methyl-2-[[(1S)-1-methylbutyl]amino]-2-oxo-ethyl]ammonium CAS Name: (2-methoxyphenyl)methyl-[(2S)-1-oxo-1-[[(2S)-pentan-2-yl]amino]propan-2-yl]ammonium IUPAC Name: (2-methoxyphenyl)methyl-[(2S)-1-oxo-1-[[(2S)-pentan-2-yl]amino]propan-2-yl]azanium Traditional Name: [(1S)-2-keto-1-methyl-2-[[(1S)-1-methylbutyl]amino]ethyl]-o-anisyl-ammonium Formula: C16H27N2O2+ MolecularWeight: 279.39778

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)C(C)[NH2+]CC1=CC=CC=C1OC

Isomeric SMILES

CCC[C@H](C)NC(=O)[C@H](C)[NH2+]CC1=CC=CC=C1OC

InChI

InChI=1S/C16H26N2O2/c1-5-8-12(2)18-16(19)13(3)17-11-14-9-6-7-10-15(14)20-4/h6-7,9-10,12-13,17H,5,8,11H2,1-4H3,(H,18,19)/p+1/t12-,13-/m0/s1