(5-bromanylthiophen-2-yl)methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]-prop-2-enyl-azanium

Systemtic Name: (5-bromanylthiophen-2-yl)methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]-prop-2-enyl-azanium Openeye Name: allyl-[(5-bromo-2-thienyl)methyl]-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]ammonium CAS Name: (5-bromo-2-thiophenyl)methyl-[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]-prop-2-enylammonium IUPAC Name: (5-bromothiophen-2-yl)methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-prop-2-enylazanium Traditional Name: allyl-[(5-bromo-2-thienyl)methyl]-[2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl]ammonium Formula: C14H17BrN3O2S+ MolecularWeight: 371.27268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C[NH+](CC=C)CC2=CC=C(S2)Br

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C[NH+](CC=C)CC2=CC=C(S2)Br

InChI

InChI=1S/C14H16BrN3O2S/c1-3-6-18(8-11-4-5-12(15)21-11)9-14(19)16-13-7-10(2)20-17-13/h3-5,7H,1,6,8-9H2,2H3,(H,16,17,19)/p+1