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

Systemtic Name: ethyl 5-prop-2-enyl-1-(3-pyridin-3-ylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-3-carboxylate Openeye Name: ethyl 5-allyl-1-[3-(3-pyridyl)propyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-3-carboxylate CAS Name: 5-prop-2-enyl-1-[3-(3-pyridinyl)propyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-prop-2-enyl-1-(3-pyridin-3-ylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-3-carboxylate Traditional Name: 5-allyl-1-[3-(3-pyridyl)propyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-3-carboxylic acid ethyl ester Formula: C20H27N4O2+ MolecularWeight: 355.45398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C2=C1C[NH+](CC2)CC=C)CCCC3=CN=CC=C3

Isomeric SMILES

CCOC(=O)C1=NN(C2=C1C[NH+](CC2)CC=C)CCCC3=CN=CC=C3

InChI

InChI=1S/C20H26N4O2/c1-3-11-23-13-9-18-17(15-23)19(20(25)26-4-2)22-24(18)12-6-8-16-7-5-10-21-14-16/h3,5,7,10,14H,1,4,6,8-9,11-13,15H2,2H3/p+1