(5-bromanyl-2-methoxy-phenyl)methyl-methyl-[2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl]azanium

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl-methyl-[2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl]azanium Openeye Name: [2-(benzylcarbamoylamino)-2-oxo-ethyl]-[(5-bromo-2-methoxy-phenyl)methyl]-methyl-ammonium CAS Name: (5-bromo-2-methoxyphenyl)methyl-methyl-[2-oxo-2-[[oxo-[(phenylmethyl)amino]methyl]amino]ethyl]ammonium IUPAC Name: [2-(benzylcarbamoylamino)-2-oxoethyl]-[(5-bromo-2-methoxyphenyl)methyl]-methylazanium Traditional Name: [2-(benzylcarbamoylamino)-2-keto-ethyl]-(5-bromo-2-methoxy-benzyl)-methyl-ammonium Formula: C19H23BrN3O3+ MolecularWeight: 421.30822

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C=CC(=C1)Br)OC)CC(=O)NC(=O)NCC2=CC=CC=C2

Isomeric SMILES

C[NH+](CC1=C(C=CC(=C1)Br)OC)CC(=O)NC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C19H22BrN3O3/c1-23(12-15-10-16(20)8-9-17(15)26-2)13-18(24)22-19(25)21-11-14-6-4-3-5-7-14/h3-10H,11-13H2,1-2H3,(H2,21,22,24,25)/p+1