5-bromanyl-N-[(R)-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-(5-methylfuran-2-yl)methyl]pyridin-1-ium-2-amine

Systemtic Name: 5-bromanyl-N-[(R)-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-(5-methylfuran-2-yl)methyl]pyridin-1-ium-2-amine Openeye Name: 5-bromo-N-[(R)-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-(5-methyl-2-furyl)methyl]pyridin-1-ium-2-amine CAS Name: 5-bromo-N-[(R)-(4-chloro-3,5-dimethyl-1-pyrazolyl)-(5-methyl-2-furanyl)methyl]-2-pyridin-1-iumamine IUPAC Name: 5-bromo-N-[(R)-(4-chloro-3,5-dimethylpyrazol-1-yl)-(5-methylfuran-2-yl)methyl]pyridin-1-ium-2-amine Traditional Name: (5-bromopyridin-1-ium-2-yl)-[(R)-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-(5-methyl-2-furyl)methyl]amine Formula: C16H17BrClN4O+ MolecularWeight: 396.68938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(NC2=[NH+]C=C(C=C2)Br)N3C(=C(C(=N3)C)Cl)C

Isomeric SMILES

CC1=CC=C(O1)[C@H](NC2=[NH+]C=C(C=C2)Br)N3C(=C(C(=N3)C)Cl)C

InChI

InChI=1S/C16H16BrClN4O/c1-9-4-6-13(23-9)16(20-14-7-5-12(17)8-19-14)22-11(3)15(18)10(2)21-22/h4-8,16H,1-3H3,(H,19,20)/p+1/t16-/m1/s1