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

Systemtic Name: (5-bromanylthiophen-2-yl)methyl-[2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl]-prop-2-enyl-azanium Openeye Name: allyl-[(5-bromo-2-thienyl)methyl]-[2-(o-tolylmethylamino)-2-oxo-ethyl]ammonium CAS Name: (5-bromo-2-thiophenyl)methyl-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-prop-2-enylammonium IUPAC Name: (5-bromothiophen-2-yl)methyl-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-prop-2-enylazanium Traditional Name: allyl-[(5-bromo-2-thienyl)methyl]-[2-keto-2-[(2-methylbenzyl)amino]ethyl]ammonium Formula: C18H22BrN2OS+ MolecularWeight: 394.34908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)C[NH+](CC=C)CC2=CC=C(S2)Br

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)C[NH+](CC=C)CC2=CC=C(S2)Br

InChI

InChI=1S/C18H21BrN2OS/c1-3-10-21(12-16-8-9-17(19)23-16)13-18(22)20-11-15-7-5-4-6-14(15)2/h3-9H,1,10-13H2,2H3,(H,20,22)/p+1