[2-[(3-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]azanium

Systemtic Name: [2-[(3-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]azanium Openeye Name: [2-(3-bromo-4-methyl-anilino)-2-oxo-ethyl]-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]ammonium CAS Name: [2-(3-bromo-4-methylanilino)-2-oxoethyl]-[[(2R)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]ammonium IUPAC Name: [2-(3-bromo-4-methylanilino)-2-oxoethyl]-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]azanium Traditional Name: [2-(3-bromo-4-methyl-anilino)-2-keto-ethyl]-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]ammonium Formula: C16H26BrN3O+2 MolecularWeight: 356.30114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1C[NH2+]CC(=O)NC2=CC(=C(C=C2)C)Br

Isomeric SMILES

CC[NH+]1CCC[C@@H]1C[NH2+]CC(=O)NC2=CC(=C(C=C2)C)Br

InChI

InChI=1S/C16H24BrN3O/c1-3-20-8-4-5-14(20)10-18-11-16(21)19-13-7-6-12(2)15(17)9-13/h6-7,9,14,18H,3-5,8,10-11H2,1-2H3,(H,19,21)/p+2/t14-/m1/s1