(5-bromanylthiophen-2-yl)methyl-ethyl-[2-oxidanylidene-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]azanium

Systemtic Name: (5-bromanylthiophen-2-yl)methyl-ethyl-[2-oxidanylidene-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]azanium Openeye Name: (5-bromo-2-thienyl)methyl-ethyl-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]ammonium CAS Name: (5-bromo-2-thiophenyl)methyl-ethyl-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]ammonium IUPAC Name: (5-bromothiophen-2-yl)methyl-ethyl-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]azanium Traditional Name: (5-bromo-2-thienyl)methyl-ethyl-[2-keto-2-[(2,4,5-trimethoxybenzyl)amino]ethyl]ammonium Formula: C19H26BrN2O4S+ MolecularWeight: 458.38974

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=C(S1)Br)CC(=O)NCC2=CC(=C(C=C2OC)OC)OC

Isomeric SMILES

CC[NH+](CC1=CC=C(S1)Br)CC(=O)NCC2=CC(=C(C=C2OC)OC)OC

InChI

InChI=1S/C19H25BrN2O4S/c1-5-22(11-14-6-7-18(20)27-14)12-19(23)21-10-13-8-16(25-3)17(26-4)9-15(13)24-2/h6-9H,5,10-12H2,1-4H3,(H,21,23)/p+1