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

Systemtic Name: (5-bromanylthiophen-2-yl)methyl-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]-prop-2-enyl-azanium Openeye Name: allyl-[(5-bromo-2-thienyl)methyl]-[2-(4-ethoxyanilino)-2-oxo-ethyl]ammonium CAS Name: (5-bromo-2-thiophenyl)methyl-[2-(4-ethoxyanilino)-2-oxoethyl]-prop-2-enylammonium IUPAC Name: (5-bromothiophen-2-yl)methyl-[2-(4-ethoxyanilino)-2-oxoethyl]-prop-2-enylazanium Traditional Name: allyl-[(5-bromo-2-thienyl)methyl]-[2-keto-2-(p-phenetidino)ethyl]ammonium Formula: C18H22BrN2O2S+ MolecularWeight: 410.34848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C[NH+](CC=C)CC2=CC=C(S2)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C[NH+](CC=C)CC2=CC=C(S2)Br

InChI

InChI=1S/C18H21BrN2O2S/c1-3-11-21(12-16-9-10-17(19)24-16)13-18(22)20-14-5-7-15(8-6-14)23-4-2/h3,5-10H,1,4,11-13H2,2H3,(H,20,22)/p+1