[5-[(2-bromanylphenoxy)methyl]furan-2-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: [5-[(2-bromanylphenoxy)methyl]furan-2-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [5-[(2-bromophenoxy)methyl]-2-furyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [5-[(2-bromophenoxy)methyl]-2-furanyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [5-[(2-bromophenoxy)methyl]furan-2-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [5-[(2-bromophenoxy)methyl]-2-furyl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C21H21BrN3O3+ MolecularWeight: 443.31374

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC=C(O3)COC4=CC=CC=C4Br

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC=C(O3)COC4=CC=CC=C4Br

InChI

InChI=1S/C21H20BrN3O3/c22-17-5-1-2-6-18(17)27-15-16-8-9-19(28-16)21(26)25-13-11-24(12-14-25)20-7-3-4-10-23-20/h1-10H,11-15H2/p+1