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

Systemtic Name: 5-phenyl-4-(pyrrolidin-1-ium-1-ylmethyl)-1H-pyrazole Openeye Name: 5-phenyl-4-(pyrrolidin-1-ium-1-ylmethyl)-1H-pyrazole CAS Name: 5-phenyl-4-(1-pyrrolidin-1-iumylmethyl)-1H-pyrazole IUPAC Name: 5-phenyl-4-(pyrrolidin-1-ium-1-ylmethyl)-1H-pyrazole Traditional Name: 5-phenyl-4-(pyrrolidin-1-ium-1-ylmethyl)-1H-pyrazole Formula: C14H18N3+ MolecularWeight: 228.31282

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=C(NN=C2)C3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](C1)CC2=C(NN=C2)C3=CC=CC=C3

InChI

InChI=1S/C14H17N3/c1-2-6-12(7-3-1)14-13(10-15-16-14)11-17-8-4-5-9-17/h1-3,6-7,10H,4-5,8-9,11H2,(H,15,16)/p+1