(5-bromanyl-2-methoxy-phenyl)methyl-[(2R)-1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl-[(2R)-1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: (5-bromo-2-methoxy-phenyl)methyl-[(1R)-2-(cyclohexylcarbamoylamino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: (5-bromo-2-methoxyphenyl)methyl-[(2R)-1-[[(cyclohexylamino)-oxomethyl]amino]-1-oxopropan-2-yl]-methylammonium IUPAC Name: (5-bromo-2-methoxyphenyl)methyl-[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-methylazanium Traditional Name: (5-bromo-2-methoxy-benzyl)-[(1R)-2-(cyclohexylcarbamoylamino)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C19H29BrN3O3+ MolecularWeight: 427.35586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CCCCC1)[NH+](C)CC2=C(C=CC(=C2)Br)OC

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC1CCCCC1)[NH+](C)CC2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C19H28BrN3O3/c1-13(18(24)22-19(25)21-16-7-5-4-6-8-16)23(2)12-14-11-15(20)9-10-17(14)26-3/h9-11,13,16H,4-8,12H2,1-3H3,(H2,21,22,24,25)/p+1/t13-/m1/s1