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

Systemtic Name: 1-phenethyl-5-prop-2-enyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-3-carboxamide Openeye Name: 5-allyl-1-phenethyl-N-(2-pyridylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-3-carboxamide CAS Name: 1-phenethyl-5-prop-2-enyl-N-(2-pyridinylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-3-carboxamide IUPAC Name: 1-phenethyl-5-prop-2-enyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-3-carboxamide Traditional Name: 5-allyl-1-phenethyl-N-(2-pyridylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-3-carboxamide Formula: C24H28N5O+ MolecularWeight: 402.51202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N5O/c1-2-14-28-15-12-22-21(18-28)23(24(30)26-17-20-10-6-7-13-25-20)27-29(22)16-11-19-8-4-3-5-9-19/h2-10,13H,1,11-12,14-18H2,(H,26,30)/p+1