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

Systemtic Name: (4-methoxyphenyl)methyl-[(2S)-1-oxidanylidene-1-(pentan-3-ylamino)propan-2-yl]azanium Openeye Name: [(1S)-2-(1-ethylpropylamino)-1-methyl-2-oxo-ethyl]-[(4-methoxyphenyl)methyl]ammonium CAS Name: (4-methoxyphenyl)methyl-[(2S)-1-oxo-1-(pentan-3-ylamino)propan-2-yl]ammonium IUPAC Name: (4-methoxyphenyl)methyl-[(2S)-1-oxo-1-(pentan-3-ylamino)propan-2-yl]azanium Traditional Name: [(1S)-2-(1-ethylpropylamino)-2-keto-1-methyl-ethyl]-p-anisyl-ammonium Formula: C16H27N2O2+ MolecularWeight: 279.39778

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)C(C)[NH2+]CC1=CC=C(C=C1)OC

Isomeric SMILES

CCC(CC)NC(=O)[C@H](C)[NH2+]CC1=CC=C(C=C1)OC

InChI

InChI=1S/C16H26N2O2/c1-5-14(6-2)18-16(19)12(3)17-11-13-7-9-15(20-4)10-8-13/h7-10,12,14,17H,5-6,11H2,1-4H3,(H,18,19)/p+1/t12-/m0/s1