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

Systemtic Name: (4-bromophenyl)methyl-[3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-propyl]-methyl-azanium Openeye Name: (4-bromophenyl)methyl-[3-[(3-cyano-2-thienyl)amino]-3-oxo-propyl]-methyl-ammonium CAS Name: (4-bromophenyl)methyl-[3-[(3-cyano-2-thiophenyl)amino]-3-oxopropyl]-methylammonium IUPAC Name: (4-bromophenyl)methyl-[3-[(3-cyanothiophen-2-yl)amino]-3-oxopropyl]-methylazanium Traditional Name: (4-bromobenzyl)-[3-[(3-cyano-2-thienyl)amino]-3-keto-propyl]-methyl-ammonium Formula: C16H17BrN3OS+ MolecularWeight: 379.29468

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC(=O)NC1=C(C=CS1)C#N)CC2=CC=C(C=C2)Br

Isomeric SMILES

C[NH+](CCC(=O)NC1=C(C=CS1)C#N)CC2=CC=C(C=C2)Br

InChI

InChI=1S/C16H16BrN3OS/c1-20(11-12-2-4-14(17)5-3-12)8-6-15(21)19-16-13(10-18)7-9-22-16/h2-5,7,9H,6,8,11H2,1H3,(H,19,21)/p+1