(5-bromanylthiophen-2-yl)methyl-ethyl-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (5-bromanylthiophen-2-yl)methyl-ethyl-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl]azanium Openeye Name: (5-bromo-2-thienyl)methyl-ethyl-[2-[(1-morpholinocyclohexyl)methylamino]-2-oxo-ethyl]ammonium CAS Name: (5-bromo-2-thiophenyl)methyl-ethyl-[2-[[1-(4-morpholinyl)cyclohexyl]methylamino]-2-oxoethyl]ammonium IUPAC Name: (5-bromothiophen-2-yl)methyl-ethyl-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl]azanium Traditional Name: (5-bromo-2-thienyl)methyl-ethyl-[2-keto-2-[(1-morpholinocyclohexyl)methylamino]ethyl]ammonium Formula: C20H33BrN3O2S+ MolecularWeight: 459.46392

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=C(S1)Br)CC(=O)NCC2(CCCCC2)N3CCOCC3

Isomeric SMILES

CC[NH+](CC1=CC=C(S1)Br)CC(=O)NCC2(CCCCC2)N3CCOCC3

InChI

InChI=1S/C20H32BrN3O2S/c1-2-23(14-17-6-7-18(21)27-17)15-19(25)22-16-20(8-4-3-5-9-20)24-10-12-26-13-11-24/h6-7H,2-5,8-16H2,1H3,(H,22,25)/p+1