6-[3-(1H-pyrazol-5-yl)phenyl]-2-pyrrolidin-1-yl-pyrimidin-3-ium-4-amine

Systemtic Name: 6-[3-(1H-pyrazol-5-yl)phenyl]-2-pyrrolidin-1-yl-pyrimidin-3-ium-4-amine Openeye Name: 6-[3-(1H-pyrazol-5-yl)phenyl]-2-pyrrolidin-1-yl-pyrimidin-3-ium-4-amine CAS Name: 6-[3-(1H-pyrazol-5-yl)phenyl]-2-(1-pyrrolidinyl)-4-pyrimidin-3-iumamine IUPAC Name: 6-[3-(1H-pyrazol-5-yl)phenyl]-2-pyrrolidin-1-ylpyrimidin-3-ium-4-amine Traditional Name: [6-[3-(1H-pyrazol-5-yl)phenyl]-2-pyrrolidino-pyrimidin-3-ium-4-yl]amine Formula: C17H19N6+ MolecularWeight: 307.37296

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=CC(=[NH+]2)N)C3=CC(=CC=C3)C4=CC=NN4

Isomeric SMILES

C1CCN(C1)C2=NC(=CC(=[NH+]2)N)C3=CC(=CC=C3)C4=CC=NN4

InChI

InChI=1S/C17H18N6/c18-16-11-15(20-17(21-16)23-8-1-2-9-23)13-5-3-4-12(10-13)14-6-7-19-22-14/h3-7,10-11H,1-2,8-9H2,(H,19,22)(H2,18,20,21)/p+1