(5-bromanyl-2-methoxy-phenyl)methyl-methyl-[2-oxidanylidene-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]azanium

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl-methyl-[2-oxidanylidene-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]azanium Openeye Name: (5-bromo-2-methoxy-phenyl)methyl-methyl-[2-oxo-2-[(2S)-2-(2-thienyl)pyrrolidin-1-yl]ethyl]ammonium CAS Name: (5-bromo-2-methoxyphenyl)methyl-methyl-[2-oxo-2-[(2S)-2-thiophen-2-yl-1-pyrrolidinyl]ethyl]ammonium IUPAC Name: (5-bromo-2-methoxyphenyl)methyl-methyl-[2-oxo-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]azanium Traditional Name: (5-bromo-2-methoxy-benzyl)-[2-keto-2-[(2S)-2-(2-thienyl)pyrrolidino]ethyl]-methyl-ammonium Formula: C19H24BrN2O2S+ MolecularWeight: 424.37506

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C=CC(=C1)Br)OC)CC(=O)N2CCCC2C3=CC=CS3

Isomeric SMILES

C[NH+](CC1=C(C=CC(=C1)Br)OC)CC(=O)N2CCC[C@H]2C3=CC=CS3

InChI

InChI=1S/C19H23BrN2O2S/c1-21(12-14-11-15(20)7-8-17(14)24-2)13-19(23)22-9-3-5-16(22)18-6-4-10-25-18/h4,6-8,10-11,16H,3,5,9,12-13H2,1-2H3/p+1/t16-/m0/s1