1-[(5-phenyl-1H-pyrazol-4-yl)methyl]azepan-1-ium

Systemtic Name: 1-[(5-phenyl-1H-pyrazol-4-yl)methyl]azepan-1-ium Openeye Name: 1-[(5-phenyl-1H-pyrazol-4-yl)methyl]azepan-1-ium CAS Name: 1-[(5-phenyl-1H-pyrazol-4-yl)methyl]azepan-1-ium IUPAC Name: 1-[(5-phenyl-1H-pyrazol-4-yl)methyl]azepan-1-ium Traditional Name: 1-[(5-phenyl-1H-pyrazol-4-yl)methyl]azepan-1-ium Formula: C16H22N3+ MolecularWeight: 256.36598

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=C(NN=C2)C3=CC=CC=C3

Isomeric SMILES

C1CCC[NH+](CC1)CC2=C(NN=C2)C3=CC=CC=C3

InChI

InChI=1S/C16H21N3/c1-2-7-11-19(10-6-1)13-15-12-17-18-16(15)14-8-4-3-5-9-14/h3-5,8-9,12H,1-2,6-7,10-11,13H2,(H,17,18)/p+1