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

Systemtic Name: [(2S)-1-[(3-bromanyl-4-methyl-phenyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1S)-1-[(3-bromo-4-methyl-phenyl)carbamoyl]-3-methyl-butyl]ammonium CAS Name: [(2S)-1-(3-bromo-4-methylanilino)-4-methyl-1-oxopentan-2-yl]ammonium IUPAC Name: [(2S)-1-(3-bromo-4-methylanilino)-4-methyl-1-oxopentan-2-yl]azanium Traditional Name: [(1S)-1-[(3-bromo-4-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=C(C=C1)NC(=O)C(CC(C)C)[NH3+])Br

Isomeric SMILES

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

InChI

InChI=1S/C13H19BrN2O/c1-8(2)6-12(15)13(17)16-10-5-4-9(3)11(14)7-10/h4-5,7-8,12H,6,15H2,1-3H3,(H,16,17)/p+1/t12-/m0/s1