[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-(3-oxidanylpropyl)azanium

Systemtic Name: [2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-(3-oxidanylpropyl)azanium Openeye Name: [2-(2-bromo-4-methyl-anilino)-2-oxo-ethyl]-(3-hydroxypropyl)ammonium CAS Name: [2-(2-bromo-4-methylanilino)-2-oxoethyl]-(3-hydroxypropyl)ammonium IUPAC Name: [2-(2-bromo-4-methylanilino)-2-oxoethyl]-(3-hydroxypropyl)azanium Traditional Name: [2-(2-bromo-4-methyl-anilino)-2-keto-ethyl]-(3-hydroxypropyl)ammonium Formula: C12H18BrN2O2+ MolecularWeight: 302.18752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C[NH2+]CCCO)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C[NH2+]CCCO)Br

InChI

InChI=1S/C12H17BrN2O2/c1-9-3-4-11(10(13)7-9)15-12(17)8-14-5-2-6-16/h3-4,7,14,16H,2,5-6,8H2,1H3,(H,15,17)/p+1