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

Systemtic Name: [2-[(5-bromanylthiophen-2-yl)methyl-prop-2-enyl-amino]-2-oxidanylidene-ethyl]-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: [2-[allyl-[(5-bromo-2-thienyl)methyl]amino]-2-oxo-ethyl]-[2-(cyclopropylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-[(5-bromo-2-thiophenyl)methyl-prop-2-enylamino]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylammonium IUPAC Name: [2-[(5-bromothiophen-2-yl)methyl-prop-2-enylamino]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium Traditional Name: [2-[allyl-[(5-bromo-2-thienyl)methyl]amino]-2-keto-ethyl]-[2-(cyclopropylamino)-2-keto-ethyl]-methyl-ammonium Formula: C16H23BrN3O2S+ MolecularWeight: 401.34172

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(=O)NC1CC1)CC(=O)N(CC=C)CC2=CC=C(S2)Br

Isomeric SMILES

C[NH+](CC(=O)NC1CC1)CC(=O)N(CC=C)CC2=CC=C(S2)Br

InChI

InChI=1S/C16H22BrN3O2S/c1-3-8-20(9-13-6-7-14(17)23-13)16(22)11-19(2)10-15(21)18-12-4-5-12/h3,6-7,12H,1,4-5,8-11H2,2H3,(H,18,21)/p+1