5-[(pyrimidin-2-ylamino)methyl]quinolin-1-ium-8-ol

Systemtic Name: 5-[(pyrimidin-2-ylamino)methyl]quinolin-1-ium-8-ol Openeye Name: 5-[(pyrimidin-2-ylamino)methyl]quinolin-1-ium-8-ol CAS Name: 5-[(2-pyrimidinylamino)methyl]-8-quinolin-1-iumol IUPAC Name: 5-[(pyrimidin-2-ylamino)methyl]quinolin-1-ium-8-ol Traditional Name: 5-[(2-pyrimidylamino)methyl]quinolin-1-ium-8-ol Formula: C14H13N4O+ MolecularWeight: 253.27922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2[NH+]=C1)O)CNC3=NC=CC=N3

Isomeric SMILES

C1=CC2=C(C=CC(=C2[NH+]=C1)O)CNC3=NC=CC=N3

InChI

InChI=1S/C14H12N4O/c19-12-5-4-10(11-3-1-6-15-13(11)12)9-18-14-16-7-2-8-17-14/h1-8,19H,9H2,(H,16,17,18)/p+1