(5-bromanyl-4-chloranyl-1H-pyrrol-2-yl)-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (5-bromanyl-4-chloranyl-1H-pyrrol-2-yl)-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (5-bromo-4-chloro-1H-pyrrol-2-yl)-[4-(2-furylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (5-bromo-4-chloro-1H-pyrrol-2-yl)-[4-(2-furanylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (5-bromo-4-chloro-1H-pyrrol-2-yl)-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (5-bromo-4-chloro-1H-pyrrol-2-yl)-[4-(2-furfuryl)piperazin-4-ium-1-yl]methanone Formula: C14H16BrClN3O2+ MolecularWeight: 373.65274

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CO2)C(=O)C3=CC(=C(N3)Br)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CO2)C(=O)C3=CC(=C(N3)Br)Cl

InChI

InChI=1S/C14H15BrClN3O2/c15-13-11(16)8-12(17-13)14(20)19-5-3-18(4-6-19)9-10-2-1-7-21-10/h1-2,7-8,17H,3-6,9H2/p+1