(5-bromanyl-2-methoxy-phenyl)methyl-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-propyl-azanium

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-propyl-azanium Openeye Name: (5-bromo-2-methoxy-phenyl)methyl-[2-(2-methylanilino)-2-oxo-ethyl]-propyl-ammonium CAS Name: (5-bromo-2-methoxyphenyl)methyl-[2-(2-methylanilino)-2-oxoethyl]-propylammonium IUPAC Name: (5-bromo-2-methoxyphenyl)methyl-[2-(2-methylanilino)-2-oxoethyl]-propylazanium Traditional Name: (5-bromo-2-methoxy-benzyl)-[2-keto-2-(o-toluidino)ethyl]-propyl-ammonium Formula: C20H26BrN2O2+ MolecularWeight: 406.33664

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CC1=C(C=CC(=C1)Br)OC)CC(=O)NC2=CC=CC=C2C

Isomeric SMILES

CCC[NH+](CC1=C(C=CC(=C1)Br)OC)CC(=O)NC2=CC=CC=C2C

InChI

InChI=1S/C20H25BrN2O2/c1-4-11-23(13-16-12-17(21)9-10-19(16)25-3)14-20(24)22-18-8-6-5-7-15(18)2/h5-10,12H,4,11,13-14H2,1-3H3,(H,22,24)/p+1