[(2S)-1-[(3-iodanylphenyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]azanium

Systemtic Name: [(2S)-1-[(3-iodanylphenyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1S)-1-[(3-iodophenyl)carbamoyl]-3-methyl-butyl]ammonium CAS Name: [(2S)-1-(3-iodoanilino)-4-methyl-1-oxopentan-2-yl]ammonium IUPAC Name: [(2S)-1-(3-iodoanilino)-4-methyl-1-oxopentan-2-yl]azanium Traditional Name: [(1S)-1-[(3-iodophenyl)carbamoyl]-3-methyl-butyl]ammonium Formula: C12H18IN2O+ MolecularWeight: 333.18859

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC1=CC(=CC=C1)I)[NH3+]

InChI

InChI=1S/C12H17IN2O/c1-8(2)6-11(14)12(16)15-10-5-3-4-9(13)7-10/h3-5,7-8,11H,6,14H2,1-2H3,(H,15,16)/p+1/t11-/m0/s1