[2-[[[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]carbonylamino]methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [2-[[[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]carbonylamino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [2-[[[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-carbonyl]amino]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [2-[[[[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [2-[[[4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-carbonyl]amino]methyl]phenyl]methyl-dimethylazanium Traditional Name: [2-[[[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-carbonyl]amino]methyl]benzyl]-dimethyl-ammonium Formula: C20H29BrN4OS+2 MolecularWeight: 453.43946

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=CC=C1CNC(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Br

Isomeric SMILES

C[NH+](C)CC1=CC=CC=C1CNC(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Br

InChI

InChI=1S/C20H27BrN4OS/c1-23(2)14-17-6-4-3-5-16(17)13-22-20(26)25-11-9-24(10-12-25)15-18-7-8-19(21)27-18/h3-8H,9-15H2,1-2H3,(H,22,26)/p+2