3-bromanyl-5-phenyl-N-(pyridin-4-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-7-amine

Systemtic Name: 3-bromanyl-5-phenyl-N-(pyridin-4-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-7-amine Openeye Name: 3-bromo-5-phenyl-N-(4-pyridylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-7-amine CAS Name: 3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-7-amine IUPAC Name: 3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-7-amine Traditional Name: (3-bromo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-8-ium-7-yl)-(4-pyridylmethyl)amine Formula: C18H15BrN5+ MolecularWeight: 381.2492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=[N+]3C(=N2)C(=CN3)Br)NCC4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=[N+]3C(=N2)C(=CN3)Br)NCC4=CC=NC=C4

InChI

InChI=1S/C18H14BrN5/c19-15-12-22-24-17(21-11-13-6-8-20-9-7-13)10-16(23-18(15)24)14-4-2-1-3-5-14/h1-10,12H,11H2,(H,21,22,23)/p+1