4-phenyl-1-[(4-pyrazol-1-ylphenyl)methyl]-1,2,3,6-tetrahydropyridin-1-ium

Systemtic Name: 4-phenyl-1-[(4-pyrazol-1-ylphenyl)methyl]-1,2,3,6-tetrahydropyridin-1-ium Openeye Name: 4-phenyl-1-[(4-pyrazol-1-ylphenyl)methyl]-1,2,3,6-tetrahydropyridin-1-ium CAS Name: 4-phenyl-1-[[4-(1-pyrazolyl)phenyl]methyl]-1,2,3,6-tetrahydropyridin-1-ium IUPAC Name: 4-phenyl-1-[(4-pyrazol-1-ylphenyl)methyl]-1,2,3,6-tetrahydropyridin-1-ium Traditional Name: 4-phenyl-1-(4-pyrazol-1-ylbenzyl)-1,2,3,6-tetrahydropyridin-1-ium Formula: C21H22N3+ MolecularWeight: 316.41948

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC=C1C2=CC=CC=C2)CC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1C[NH+](CC=C1C2=CC=CC=C2)CC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C21H21N3/c1-2-5-19(6-3-1)20-11-15-23(16-12-20)17-18-7-9-21(10-8-18)24-14-4-13-22-24/h1-11,13-14H,12,15-17H2/p+1