2-(4-methoxyphenyl)ethyl-[(2S)-1-oxidanylidene-1-[[(2R)-pentan-2-yl]amino]propan-2-yl]azanium

Systemtic Name: 2-(4-methoxyphenyl)ethyl-[(2S)-1-oxidanylidene-1-[[(2R)-pentan-2-yl]amino]propan-2-yl]azanium Openeye Name: 2-(4-methoxyphenyl)ethyl-[(1S)-1-methyl-2-[[(1R)-1-methylbutyl]amino]-2-oxo-ethyl]ammonium CAS Name: 2-(4-methoxyphenyl)ethyl-[(2S)-1-oxo-1-[[(2R)-pentan-2-yl]amino]propan-2-yl]ammonium IUPAC Name: 2-(4-methoxyphenyl)ethyl-[(2S)-1-oxo-1-[[(2R)-pentan-2-yl]amino]propan-2-yl]azanium Traditional Name: [(1S)-2-keto-1-methyl-2-[[(1R)-1-methylbutyl]amino]ethyl]-[2-(4-methoxyphenyl)ethyl]ammonium Formula: C17H29N2O2+ MolecularWeight: 293.42436

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)C(C)[NH2+]CCC1=CC=C(C=C1)OC

Isomeric SMILES

CCC[C@@H](C)NC(=O)[C@H](C)[NH2+]CCC1=CC=C(C=C1)OC

InChI

InChI=1S/C17H28N2O2/c1-5-6-13(2)19-17(20)14(3)18-12-11-15-7-9-16(21-4)10-8-15/h7-10,13-14,18H,5-6,11-12H2,1-4H3,(H,19,20)/p+1/t13-,14+/m1/s1