N-[2-(1H-indazol-6-ylamino)pyridin-3-yl]-1-methyl-4-phenyl-piperidin-1-ium-1-carboxamide

Systemtic Name: N-[2-(1H-indazol-6-ylamino)pyridin-3-yl]-1-methyl-4-phenyl-piperidin-1-ium-1-carboxamide Openeye Name: N-[2-(1H-indazol-6-ylamino)-3-pyridyl]-1-methyl-4-phenyl-piperidin-1-ium-1-carboxamide CAS Name: N-[2-(1H-indazol-6-ylamino)-3-pyridinyl]-1-methyl-4-phenyl-1-piperidin-1-iumcarboxamide IUPAC Name: N-[2-(1H-indazol-6-ylamino)pyridin-3-yl]-1-methyl-4-phenylpiperidin-1-ium-1-carboxamide Traditional Name: N-[2-(1H-indazol-6-ylamino)-3-pyridyl]-1-methyl-4-phenyl-piperidin-1-ium-1-carboxamide Formula: C25H27N6O+ MolecularWeight: 427.52148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)C2=CC=CC=C2)C(=O)NC3=C(N=CC=C3)NC4=CC5=C(C=C4)C=NN5

Isomeric SMILES

C[N+]1(CCC(CC1)C2=CC=CC=C2)C(=O)NC3=C(N=CC=C3)NC4=CC5=C(C=C4)C=NN5

InChI

InChI=1S/C25H26N6O/c1-31(14-11-19(12-15-31)18-6-3-2-4-7-18)25(32)29-22-8-5-13-26-24(22)28-21-10-9-20-17-27-30-23(20)16-21/h2-10,13,16-17,19H,11-12,14-15H2,1H3,(H2-,26,27,28,29,30,32)/p+1