(5-bromanyl-2-methoxy-phenyl)methyl-[3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl]-methyl-azanium

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl-[3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl]-methyl-azanium Openeye Name: (5-bromo-2-methoxy-phenyl)methyl-[3-(2-cyanoanilino)-3-oxo-propyl]-methyl-ammonium CAS Name: (5-bromo-2-methoxyphenyl)methyl-[3-(2-cyanoanilino)-3-oxopropyl]-methylammonium IUPAC Name: (5-bromo-2-methoxyphenyl)methyl-[3-(2-cyanoanilino)-3-oxopropyl]-methylazanium Traditional Name: (5-bromo-2-methoxy-benzyl)-[3-(2-cyanoanilino)-3-keto-propyl]-methyl-ammonium Formula: C19H21BrN3O2+ MolecularWeight: 403.29294

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC(=O)NC1=CC=CC=C1C#N)CC2=C(C=CC(=C2)Br)OC

Isomeric SMILES

C[NH+](CCC(=O)NC1=CC=CC=C1C#N)CC2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C19H20BrN3O2/c1-23(13-15-11-16(20)7-8-18(15)25-2)10-9-19(24)22-17-6-4-3-5-14(17)12-21/h3-8,11H,9-10,13H2,1-2H3,(H,22,24)/p+1