5-(4-methylphenyl)-4-(pyrrolidin-1-ium-1-ylmethyl)-1H-pyrazole

Systemtic Name: 5-(4-methylphenyl)-4-(pyrrolidin-1-ium-1-ylmethyl)-1H-pyrazole Openeye Name: 5-(p-tolyl)-4-(pyrrolidin-1-ium-1-ylmethyl)-1H-pyrazole CAS Name: 5-(4-methylphenyl)-4-(1-pyrrolidin-1-iumylmethyl)-1H-pyrazole IUPAC Name: 5-(4-methylphenyl)-4-(pyrrolidin-1-ium-1-ylmethyl)-1H-pyrazole Traditional Name: 5-(p-tolyl)-4-(pyrrolidin-1-ium-1-ylmethyl)-1H-pyrazole Formula: C15H20N3+ MolecularWeight: 242.3394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C=NN2)C[NH+]3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C=NN2)C[NH+]3CCCC3

InChI

InChI=1S/C15H19N3/c1-12-4-6-13(7-5-12)15-14(10-16-17-15)11-18-8-2-3-9-18/h4-7,10H,2-3,8-9,11H2,1H3,(H,16,17)/p+1