[(2S)-4-azanyl-4-oxidanylidene-2-(4-propan-2-yloxyphenyl)butyl]azanium

Systemtic Name: [(2S)-4-azanyl-4-oxidanylidene-2-(4-propan-2-yloxyphenyl)butyl]azanium Openeye Name: [(2S)-4-amino-2-(4-isopropoxyphenyl)-4-oxo-butyl]ammonium CAS Name: [(2S)-4-amino-4-oxo-2-(4-propan-2-yloxyphenyl)butyl]ammonium IUPAC Name: [(2S)-4-amino-4-oxo-2-(4-propan-2-yloxyphenyl)butyl]azanium Traditional Name: [(2S)-4-amino-2-(4-isopropoxyphenyl)-4-keto-butyl]ammonium Formula: C13H21N2O2+ MolecularWeight: 237.31804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(CC(=O)N)C[NH3+]

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)[C@H](CC(=O)N)C[NH3+]

InChI

InChI=1S/C13H20N2O2/c1-9(2)17-12-5-3-10(4-6-12)11(8-14)7-13(15)16/h3-6,9,11H,7-8,14H2,1-2H3,(H2,15,16)/p+1/t11-/m1/s1