(5-bromanylthiophen-2-yl)methyl-[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl]-prop-2-enyl-azanium

Systemtic Name: (5-bromanylthiophen-2-yl)methyl-[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl]-prop-2-enyl-azanium Openeye Name: allyl-[(5-bromo-2-thienyl)methyl]-[2-[4-(cyanomethyl)anilino]-2-oxo-ethyl]ammonium CAS Name: (5-bromo-2-thiophenyl)methyl-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]-prop-2-enylammonium IUPAC Name: (5-bromothiophen-2-yl)methyl-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]-prop-2-enylazanium Traditional Name: allyl-[(5-bromo-2-thienyl)methyl]-[2-[4-(cyanomethyl)anilino]-2-keto-ethyl]ammonium Formula: C18H19BrN3OS+ MolecularWeight: 405.33196

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[NH+](CC1=CC=C(S1)Br)CC(=O)NC2=CC=C(C=C2)CC#N

Isomeric SMILES

C=CC[NH+](CC1=CC=C(S1)Br)CC(=O)NC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C18H18BrN3OS/c1-2-11-22(12-16-7-8-17(19)24-16)13-18(23)21-15-5-3-14(4-6-15)9-10-20/h2-8H,1,9,11-13H2,(H,21,23)/p+1