[2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-methyl-(2-phenoxyethyl)azanium

Systemtic Name: [2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-methyl-(2-phenoxyethyl)azanium Openeye Name: [2-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]-methyl-(2-phenoxyethyl)ammonium CAS Name: [2-[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]-methyl-(2-phenoxyethyl)ammonium IUPAC Name: [2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium Traditional Name: [2-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-2-keto-ethyl]-methyl-(2-phenoxyethyl)ammonium Formula: C20H28BrN3O2S+2 MolecularWeight: 454.42422

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCOC1=CC=CC=C1)CC(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Br

Isomeric SMILES

C[NH+](CCOC1=CC=CC=C1)CC(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Br

InChI

InChI=1S/C20H26BrN3O2S/c1-22(13-14-26-17-5-3-2-4-6-17)16-20(25)24-11-9-23(10-12-24)15-18-7-8-19(21)27-18/h2-8H,9-16H2,1H3/p+2