(5-bromanyl-2-methoxy-phenyl)methyl-[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl-[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (5-bromo-2-methoxy-phenyl)methyl-[2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: (5-bromo-2-methoxyphenyl)methyl-[2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl]-methylammonium IUPAC Name: (5-bromo-2-methoxyphenyl)methyl-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylazanium Traditional Name: (5-bromo-2-methoxy-benzyl)-[2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl]-methyl-ammonium Formula: C16H17BrN3O2S+ MolecularWeight: 395.29408

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C=CC(=C1)Br)OC)CC(=O)NC2=C(C=CS2)C#N

Isomeric SMILES

C[NH+](CC1=C(C=CC(=C1)Br)OC)CC(=O)NC2=C(C=CS2)C#N

InChI

InChI=1S/C16H16BrN3O2S/c1-20(9-12-7-13(17)3-4-14(12)22-2)10-15(21)19-16-11(8-18)5-6-23-16/h3-7H,9-10H2,1-2H3,(H,19,21)/p+1