5-cyclobutyl-3-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-5-ium

Systemtic Name: 5-cyclobutyl-3-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-5-ium Openeye Name: 5-cyclobutyl-3-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-5-ium CAS Name: 5-cyclobutyl-3-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-5-ium IUPAC Name: 5-cyclobutyl-3-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-5-ium Traditional Name: 5-cyclobutyl-3-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-5-ium Formula: C17H22N3O+ MolecularWeight: 284.37608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NNC3=C2C[NH+](CC3)C4CCC4

Isomeric SMILES

COC1=CC=CC(=C1)C2=NNC3=C2C[NH+](CC3)C4CCC4

InChI

InChI=1S/C17H21N3O/c1-21-14-7-2-4-12(10-14)17-15-11-20(13-5-3-6-13)9-8-16(15)18-19-17/h2,4,7,10,13H,3,5-6,8-9,11H2,1H3,(H,18,19)/p+1