potassium 1-(7-phenylpteridin-4-yl)piperidine-4-carboxylate

Systemtic Name: potassium 1-(7-phenylpteridin-4-yl)piperidine-4-carboxylate Openeye Name: potassium 1-(7-phenylpteridin-4-yl)piperidine-4-carboxylate CAS Name: potassium 1-(7-phenyl-4-pteridinyl)-4-piperidinecarboxylate IUPAC Name: potassium 1-(7-phenylpteridin-4-yl)piperidine-4-carboxylate Traditional Name: potassium 1-(7-phenylpteridin-4-yl)isonipecotate Formula: C18H16KN5O2 MolecularWeight: 373.45024

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)[O-])C2=NC=NC3=NC(=CN=C32)C4=CC=CC=C4.[K+]

Isomeric SMILES

C1CN(CCC1C(=O)[O-])C2=NC=NC3=NC(=CN=C32)C4=CC=CC=C4.[K+]

InChI

InChI=1S/C18H17N5O2.K/c24-18(25)13-6-8-23(9-7-13)17-15-16(20-11-21-17)22-14(10-19-15)12-4-2-1-3-5-12;/h1-5,10-11,13H,6-9H2,(H,24,25);/q;+1/p-1