[2-[[(2S)-butan-2-yl]-[(3-methoxyphenyl)methyl]amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: [2-[[(2S)-butan-2-yl]-[(3-methoxyphenyl)methyl]amino]-2-oxidanylidene-ethyl]azanium Openeye Name: [2-[(3-methoxyphenyl)methyl-[(1S)-1-methylpropyl]amino]-2-oxo-ethyl]ammonium CAS Name: [2-[[(2S)-butan-2-yl]-[(3-methoxyphenyl)methyl]amino]-2-oxoethyl]ammonium IUPAC Name: [2-[[(2S)-butan-2-yl]-[(3-methoxyphenyl)methyl]amino]-2-oxoethyl]azanium Traditional Name: [2-keto-2-[m-anisyl-[(1S)-1-methylpropyl]amino]ethyl]ammonium Formula: C14H23N2O2+ MolecularWeight: 251.34462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2O2/c1-4-11(2)16(14(17)9-15)10-12-6-5-7-13(8-12)18-3/h5-8,11H,4,9-10,15H2,1-3H3/p+1/t11-/m0/s1