(5-bromanylthiophen-2-yl)methyl-[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]-prop-2-enyl-azanium

Systemtic Name: (5-bromanylthiophen-2-yl)methyl-[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]-prop-2-enyl-azanium Openeye Name: allyl-[(5-bromo-2-thienyl)methyl]-[2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl]ammonium CAS Name: (5-bromo-2-thiophenyl)methyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-prop-2-enylammonium IUPAC Name: (5-bromothiophen-2-yl)methyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-prop-2-enylazanium Traditional Name: allyl-[(5-bromo-2-thienyl)methyl]-[2-[(4-fluorobenzyl)amino]-2-keto-ethyl]ammonium Formula: C17H19BrFN2OS+ MolecularWeight: 398.312963

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[NH+](CC1=CC=C(S1)Br)CC(=O)NCC2=CC=C(C=C2)F

Isomeric SMILES

C=CC[NH+](CC1=CC=C(S1)Br)CC(=O)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C17H18BrFN2OS/c1-2-9-21(11-15-7-8-16(18)23-15)12-17(22)20-10-13-3-5-14(19)6-4-13/h2-8H,1,9-12H2,(H,20,22)/p+1