2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]quinolin-1-ium

Systemtic Name: 2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]quinolin-1-ium Openeye Name: 2-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]quinolin-1-ium CAS Name: 2-[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]quinolin-1-ium IUPAC Name: 2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-yl]quinolin-1-ium Traditional Name: 2-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]quinolin-1-ium Formula: C18H20BrN3S+2 MolecularWeight: 390.3405

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C3=[NH+]C4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C3=[NH+]C4=CC=CC=C4C=C3

InChI

InChI=1S/C18H18BrN3S/c19-17-7-6-15(23-17)13-21-9-11-22(12-10-21)18-8-5-14-3-1-2-4-16(14)20-18/h1-8H,9-13H2/p+2