[(2S,3S)-1-[2-(4-methoxyphenyl)ethylamino]-3-methyl-1-oxidanylidene-pentan-2-yl]azanium

Systemtic Name: [(2S,3S)-1-[2-(4-methoxyphenyl)ethylamino]-3-methyl-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1S,2S)-1-[2-(4-methoxyphenyl)ethylcarbamoyl]-2-methyl-butyl]ammonium CAS Name: [(2S,3S)-1-[2-(4-methoxyphenyl)ethylamino]-3-methyl-1-oxopentan-2-yl]ammonium IUPAC Name: [(2S,3S)-1-[2-(4-methoxyphenyl)ethylamino]-3-methyl-1-oxopentan-2-yl]azanium Traditional Name: [(1S,2S)-1-[2-(4-methoxyphenyl)ethylcarbamoyl]-2-methyl-butyl]ammonium Formula: C15H25N2O2+ MolecularWeight: 265.3712

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCCC1=CC=C(C=C1)OC)[NH3+]

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NCCC1=CC=C(C=C1)OC)[NH3+]

InChI

InChI=1S/C15H24N2O2/c1-4-11(2)14(16)15(18)17-10-9-12-5-7-13(19-3)8-6-12/h5-8,11,14H,4,9-10,16H2,1-3H3,(H,17,18)/p+1/t11-,14-/m0/s1