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

Systemtic Name: ethyl 5-(phenylmethyl)-1-prop-2-enyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-3-carboxylate Openeye Name: ethyl 1-allyl-5-benzyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-3-carboxylate CAS Name: 5-(phenylmethyl)-1-prop-2-enyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-1-prop-2-enyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-3-carboxylate Traditional Name: 1-allyl-5-benzyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-3-carboxylic acid ethyl ester Formula: C19H24N3O2+ MolecularWeight: 326.41276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C2=C1C[NH+](CC2)CC3=CC=CC=C3)CC=C

Isomeric SMILES

CCOC(=O)C1=NN(C2=C1C[NH+](CC2)CC3=CC=CC=C3)CC=C

InChI

InChI=1S/C19H23N3O2/c1-3-11-22-17-10-12-21(13-15-8-6-5-7-9-15)14-16(17)18(20-22)19(23)24-4-2/h3,5-9H,1,4,10-14H2,2H3/p+1