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

Systemtic Name: 4-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]carbonyl-1H-quinolin-2-one Openeye Name: 4-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-carbonyl]-1H-quinolin-2-one CAS Name: 4-[[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-1H-quinolin-2-one IUPAC Name: 4-[4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-carbonyl]-1H-quinolin-2-one Traditional Name: 4-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-carbonyl]carbostyril Formula: C19H19BrN3O2S+ MolecularWeight: 433.34206

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C(=O)C3=CC(=O)NC4=CC=CC=C43

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C(=O)C3=CC(=O)NC4=CC=CC=C43

InChI

InChI=1S/C19H18BrN3O2S/c20-17-6-5-13(26-17)12-22-7-9-23(10-8-22)19(25)15-11-18(24)21-16-4-2-1-3-14(15)16/h1-6,11H,7-10,12H2,(H,21,24)/p+1