5-ethyl-1-phenethyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-3-carboxamide

Systemtic Name: 5-ethyl-1-phenethyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-3-carboxamide Openeye Name: 5-ethyl-1-phenethyl-N-(2-pyridylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-3-carboxamide CAS Name: 5-ethyl-1-phenethyl-N-(2-pyridinylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-3-carboxamide IUPAC Name: 5-ethyl-1-phenethyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-3-carboxamide Traditional Name: 5-ethyl-1-phenethyl-N-(2-pyridylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-3-carboxamide Formula: C23H28N5O+ MolecularWeight: 390.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC2=C(C1)C(=NN2CCC3=CC=CC=C3)C(=O)NCC4=CC=CC=N4

Isomeric SMILES

CC[NH+]1CCC2=C(C1)C(=NN2CCC3=CC=CC=C3)C(=O)NCC4=CC=CC=N4

InChI

InChI=1S/C23H27N5O/c1-2-27-14-12-21-20(17-27)22(23(29)25-16-19-10-6-7-13-24-19)26-28(21)15-11-18-8-4-3-5-9-18/h3-10,13H,2,11-12,14-17H2,1H3,(H,25,29)/p+1