[(1S)-1-[3-(propan-2-ylcarbamoylamino)phenyl]ethyl]azanium

Systemtic Name: [(1S)-1-[3-(propan-2-ylcarbamoylamino)phenyl]ethyl]azanium Openeye Name: [(1S)-1-[3-(isopropylcarbamoylamino)phenyl]ethyl]ammonium CAS Name: [(1S)-1-[3-[[oxo-(propan-2-ylamino)methyl]amino]phenyl]ethyl]ammonium IUPAC Name: [(1S)-1-[3-(propan-2-ylcarbamoylamino)phenyl]ethyl]azanium Traditional Name: [(1S)-1-[3-(isopropylcarbamoylamino)phenyl]ethyl]ammonium Formula: C12H20N3O+ MolecularWeight: 222.3067

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC1=CC=CC(=C1)C(C)[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C12H19N3O/c1-8(2)14-12(16)15-11-6-4-5-10(7-11)9(3)13/h4-9H,13H2,1-3H3,(H2,14,15,16)/p+1/t9-/m0/s1