ethyl 5-ethyl-1-(3-phenylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-3-carboxylate

Systemtic Name: ethyl 5-ethyl-1-(3-phenylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-3-carboxylate Openeye Name: ethyl 5-ethyl-1-(3-phenylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-3-carboxylate CAS Name: 5-ethyl-1-(3-phenylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-1-(3-phenylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-3-carboxylate Traditional Name: 5-ethyl-1-(3-phenylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-3-carboxylic acid ethyl ester Formula: C20H28N3O2+ MolecularWeight: 342.45522

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC2=C(C1)C(=NN2CCCC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CC[NH+]1CCC2=C(C1)C(=NN2CCCC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C20H27N3O2/c1-3-22-14-12-18-17(15-22)19(20(24)25-4-2)21-23(18)13-8-11-16-9-6-5-7-10-16/h5-7,9-10H,3-4,8,11-15H2,1-2H3/p+1