[5-(4-bromanyl-2-chloranyl-phenyl)furan-2-yl]methyl-(piperidin-1-ium-4-ylmethyl)azanium

Systemtic Name: [5-(4-bromanyl-2-chloranyl-phenyl)furan-2-yl]methyl-(piperidin-1-ium-4-ylmethyl)azanium Openeye Name: [5-(4-bromo-2-chloro-phenyl)-2-furyl]methyl-(piperidin-1-ium-4-ylmethyl)ammonium CAS Name: [5-(4-bromo-2-chlorophenyl)-2-furanyl]methyl-(4-piperidin-1-iumylmethyl)ammonium IUPAC Name: [5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl-(piperidin-1-ium-4-ylmethyl)azanium Traditional Name: [5-(4-bromo-2-chloro-phenyl)-2-furyl]methyl-(piperidin-1-ium-4-ylmethyl)ammonium Formula: C17H22BrClN2O+2 MolecularWeight: 385.72638

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1C[NH2+]CC2=CC=C(O2)C3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

C1C[NH2+]CCC1C[NH2+]CC2=CC=C(O2)C3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C17H20BrClN2O/c18-13-1-3-15(16(19)9-13)17-4-2-14(22-17)11-21-10-12-5-7-20-8-6-12/h1-4,9,12,20-21H,5-8,10-11H2/p+2