ethyl 1-(2-methylpropyl)-5-prop-2-enyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-3-carboxylate

Systemtic Name: ethyl 1-(2-methylpropyl)-5-prop-2-enyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-3-carboxylate Openeye Name: ethyl 5-allyl-1-isobutyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-3-carboxylate CAS Name: 1-(2-methylpropyl)-5-prop-2-enyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-methylpropyl)-5-prop-2-enyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-3-carboxylate Traditional Name: 5-allyl-1-isobutyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-3-carboxylic acid ethyl ester Formula: C16H26N3O2+ MolecularWeight: 292.39654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C2=C1C[NH+](CC2)CC=C)CC(C)C

Isomeric SMILES

CCOC(=O)C1=NN(C2=C1C[NH+](CC2)CC=C)CC(C)C

InChI

InChI=1S/C16H25N3O2/c1-5-8-18-9-7-14-13(11-18)15(16(20)21-6-2)17-19(14)10-12(3)4/h5,12H,1,6-11H2,2-4H3/p+1