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

Systemtic Name: [2-[(5-bromanylthiophen-2-yl)methyl-prop-2-enyl-amino]-2-oxidanylidene-ethyl]-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: [2-[allyl-[(5-bromo-2-thienyl)methyl]amino]-2-oxo-ethyl]-[2-(tert-butylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-[(5-bromo-2-thiophenyl)methyl-prop-2-enylamino]-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-methylammonium IUPAC Name: [2-[(5-bromothiophen-2-yl)methyl-prop-2-enylamino]-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-methylazanium Traditional Name: [2-[allyl-[(5-bromo-2-thienyl)methyl]amino]-2-keto-ethyl]-[2-(tert-butylamino)-2-keto-ethyl]-methyl-ammonium Formula: C17H27BrN3O2S+ MolecularWeight: 417.38418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+](C)CC(=O)N(CC=C)CC1=CC=C(S1)Br

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+](C)CC(=O)N(CC=C)CC1=CC=C(S1)Br

InChI

InChI=1S/C17H26BrN3O2S/c1-6-9-21(10-13-7-8-14(18)24-13)16(23)12-20(5)11-15(22)19-17(2,3)4/h6-8H,1,9-12H2,2-5H3,(H,19,22)/p+1