(5-bromanylthiophen-2-yl)methyl-methyl-[2-oxidanylidene-2-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]amino]ethyl]azanium

Systemtic Name: (5-bromanylthiophen-2-yl)methyl-methyl-[2-oxidanylidene-2-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]amino]ethyl]azanium Openeye Name: (5-bromo-2-thienyl)methyl-methyl-[2-oxo-2-[4-(pyrrolidin-1-ium-1-ylmethyl)anilino]ethyl]ammonium CAS Name: (5-bromo-2-thiophenyl)methyl-methyl-[2-oxo-2-[4-(1-pyrrolidin-1-iumylmethyl)anilino]ethyl]ammonium IUPAC Name: (5-bromothiophen-2-yl)methyl-methyl-[2-oxo-2-[4-(pyrrolidin-1-ium-1-ylmethyl)anilino]ethyl]azanium Traditional Name: (5-bromo-2-thienyl)methyl-[2-keto-2-[4-(pyrrolidin-1-ium-1-ylmethyl)anilino]ethyl]-methyl-ammonium Formula: C19H26BrN3OS+2 MolecularWeight: 424.39824

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(S1)Br)CC(=O)NC2=CC=C(C=C2)C[NH+]3CCCC3

Isomeric SMILES

C[NH+](CC1=CC=C(S1)Br)CC(=O)NC2=CC=C(C=C2)C[NH+]3CCCC3

InChI

InChI=1S/C19H24BrN3OS/c1-22(13-17-8-9-18(20)25-17)14-19(24)21-16-6-4-15(5-7-16)12-23-10-2-3-11-23/h4-9H,2-3,10-14H2,1H3,(H,21,24)/p+2