(4-bromophenyl)methyl-[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (4-bromophenyl)methyl-[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (4-bromophenyl)methyl-[2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: (4-bromophenyl)methyl-[2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl]-methylammonium IUPAC Name: (4-bromophenyl)methyl-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylazanium Traditional Name: (4-bromobenzyl)-[2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl]-methyl-ammonium Formula: C15H15BrN3OS+ MolecularWeight: 365.2681

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14BrN3OS/c1-19(9-11-2-4-13(16)5-3-11)10-14(20)18-15-12(8-17)6-7-21-15/h2-7H,9-10H2,1H3,(H,18,20)/p+1