[(2S)-1-[(4-bromanyl-2-methyl-phenyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]azanium

Systemtic Name: [(2S)-1-[(4-bromanyl-2-methyl-phenyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1S)-1-[(4-bromo-2-methyl-phenyl)carbamoyl]-3-methyl-butyl]ammonium CAS Name: [(2S)-1-(4-bromo-2-methylanilino)-4-methyl-1-oxopentan-2-yl]ammonium IUPAC Name: [(2S)-1-(4-bromo-2-methylanilino)-4-methyl-1-oxopentan-2-yl]azanium Traditional Name: [(1S)-1-[(4-bromo-2-methyl-phenyl)carbamoyl]-3-methyl-butyl]ammonium Formula: C13H20BrN2O+ MolecularWeight: 300.2147

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C(CC(C)C)[NH3+]

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)[C@H](CC(C)C)[NH3+]

InChI

InChI=1S/C13H19BrN2O/c1-8(2)6-11(15)13(17)16-12-5-4-10(14)7-9(12)3/h4-5,7-8,11H,6,15H2,1-3H3,(H,16,17)/p+1/t11-/m0/s1