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

Systemtic Name: N-ethyl-1-[(3-methoxyphenyl)methyl]-5-prop-2-enyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-3-carboxamide Openeye Name: 5-allyl-N-ethyl-1-[(3-methoxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-3-carboxamide CAS Name: N-ethyl-1-[(3-methoxyphenyl)methyl]-5-prop-2-enyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-3-carboxamide IUPAC Name: N-ethyl-1-[(3-methoxyphenyl)methyl]-5-prop-2-enyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-3-carboxamide Traditional Name: 5-allyl-N-ethyl-1-m-anisyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-3-carboxamide Formula: C20H27N4O2+ MolecularWeight: 355.45398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O2/c1-4-10-23-11-9-18-17(14-23)19(20(25)21-5-2)22-24(18)13-15-7-6-8-16(12-15)26-3/h4,6-8,12H,1,5,9-11,13-14H2,2-3H3,(H,21,25)/p+1