8-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-1,5-diazoniabicyclo[3.2.1]octane

Systemtic Name: 8-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-1,5-diazoniabicyclo[3.2.1]octane Openeye Name: 8-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-1,5-diazoniabicyclo[3.2.1]octane CAS Name: 8-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-1,5-diazoniabicyclo[3.2.1]octane IUPAC Name: 8-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-1,5-diazoniabicyclo[3.2.1]octane Traditional Name: 8-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-1,5-diazoniabicyclo[3.2.1]octane Formula: C16H21ClN4+2 MolecularWeight: 304.81774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C2[NH+]3CCC[NH+]2CC3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C2[NH+]3CCC[NH+]2CC3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C16H19ClN4/c1-12-14(16-19-8-5-9-20(16)11-10-19)15(17)21(18-12)13-6-3-2-4-7-13/h2-4,6-7,16H,5,8-11H2,1H3/p+2