5-bromanyl-N-[(R)-(3,5-dimethylpyrazol-1-yl)-(5-methylfuran-2-yl)methyl]pyridin-1-ium-2-amine

Systemtic Name: 5-bromanyl-N-[(R)-(3,5-dimethylpyrazol-1-yl)-(5-methylfuran-2-yl)methyl]pyridin-1-ium-2-amine Openeye Name: 5-bromo-N-[(R)-(3,5-dimethylpyrazol-1-yl)-(5-methyl-2-furyl)methyl]pyridin-1-ium-2-amine CAS Name: 5-bromo-N-[(R)-(3,5-dimethyl-1-pyrazolyl)-(5-methyl-2-furanyl)methyl]-2-pyridin-1-iumamine IUPAC Name: 5-bromo-N-[(R)-(3,5-dimethylpyrazol-1-yl)-(5-methylfuran-2-yl)methyl]pyridin-1-ium-2-amine Traditional Name: (5-bromopyridin-1-ium-2-yl)-[(R)-(3,5-dimethylpyrazol-1-yl)-(5-methyl-2-furyl)methyl]amine Formula: C16H18BrN4O+ MolecularWeight: 362.24432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrN4O/c1-10-8-11(2)21(20-10)16(14-6-4-12(3)22-14)19-15-7-5-13(17)9-18-15/h4-9,16H,1-3H3,(H,18,19)/p+1/t16-/m1/s1