(5-bromanylthiophen-2-yl)methyl-[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]-prop-2-enyl-azanium

Systemtic Name: (5-bromanylthiophen-2-yl)methyl-[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]-prop-2-enyl-azanium Openeye Name: allyl-[(5-bromo-2-thienyl)methyl]-[2-(2,6-diethylanilino)-2-oxo-ethyl]ammonium CAS Name: (5-bromo-2-thiophenyl)methyl-[2-(2,6-diethylanilino)-2-oxoethyl]-prop-2-enylammonium IUPAC Name: (5-bromothiophen-2-yl)methyl-[2-(2,6-diethylanilino)-2-oxoethyl]-prop-2-enylazanium Traditional Name: allyl-[(5-bromo-2-thienyl)methyl]-[2-(2,6-diethylanilino)-2-keto-ethyl]ammonium Formula: C20H26BrN2OS+ MolecularWeight: 422.40224

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C[NH+](CC=C)CC2=CC=C(S2)Br

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C[NH+](CC=C)CC2=CC=C(S2)Br

InChI

InChI=1S/C20H25BrN2OS/c1-4-12-23(13-17-10-11-18(21)25-17)14-19(24)22-20-15(5-2)8-7-9-16(20)6-3/h4,7-11H,1,5-6,12-14H2,2-3H3,(H,22,24)/p+1