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

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl-[(5-bromanylthiophen-2-yl)methyl]-prop-2-enyl-azanium Openeye Name: allyl-[(5-bromo-2-thienyl)methyl]-[2-(1,3-dioxoisoindolin-2-yl)ethyl]ammonium CAS Name: (5-bromo-2-thiophenyl)methyl-[2-(1,3-dioxo-2-isoindolyl)ethyl]-prop-2-enylammonium IUPAC Name: (5-bromothiophen-2-yl)methyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-prop-2-enylazanium Traditional Name: allyl-[(5-bromo-2-thienyl)methyl]-(2-phthalimidoethyl)ammonium Formula: C18H18BrN2O2S+ MolecularWeight: 406.31672

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[NH+](CCN1C(=O)C2=CC=CC=C2C1=O)CC3=CC=C(S3)Br

Isomeric SMILES

C=CC[NH+](CCN1C(=O)C2=CC=CC=C2C1=O)CC3=CC=C(S3)Br

InChI

InChI=1S/C18H17BrN2O2S/c1-2-9-20(12-13-7-8-16(19)24-13)10-11-21-17(22)14-5-3-4-6-15(14)18(21)23/h2-8H,1,9-12H2/p+1