(5-bromanyl-2-methoxy-phenyl)methyl-methyl-[2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl-methyl-[2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: (5-bromo-2-methoxy-phenyl)methyl-methyl-[2-(4-morpholinoanilino)-2-oxo-ethyl]ammonium CAS Name: (5-bromo-2-methoxyphenyl)methyl-methyl-[2-[4-(4-morpholinyl)anilino]-2-oxoethyl]ammonium IUPAC Name: (5-bromo-2-methoxyphenyl)methyl-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium Traditional Name: (5-bromo-2-methoxy-benzyl)-[2-keto-2-(4-morpholinoanilino)ethyl]-methyl-ammonium Formula: C21H27BrN3O3+ MolecularWeight: 449.36138

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C=CC(=C1)Br)OC)CC(=O)NC2=CC=C(C=C2)N3CCOCC3

Isomeric SMILES

C[NH+](CC1=C(C=CC(=C1)Br)OC)CC(=O)NC2=CC=C(C=C2)N3CCOCC3

InChI

InChI=1S/C21H26BrN3O3/c1-24(14-16-13-17(22)3-8-20(16)27-2)15-21(26)23-18-4-6-19(7-5-18)25-9-11-28-12-10-25/h3-8,13H,9-12,14-15H2,1-2H3,(H,23,26)/p+1