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

Systemtic Name: 5-(3-bromophenyl)-N-(pyridin-4-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-7-amine Openeye Name: 5-(3-bromophenyl)-N-(4-pyridylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-7-amine CAS Name: 5-(3-bromophenyl)-N-(pyridin-4-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-7-amine IUPAC Name: 5-(3-bromophenyl)-N-(pyridin-4-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-7-amine Traditional Name: [5-(3-bromophenyl)-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(=CC(=C1)Br)C2=CC(=[N+]3C(=N2)C=CN3)NCC4=CC=NC=C4

Isomeric SMILES

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

InChI

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