5-(2,4-dichlorophenyl)-4-(pyrrolidin-1-ium-1-ylmethyl)-1H-pyrazole

Systemtic Name: 5-(2,4-dichlorophenyl)-4-(pyrrolidin-1-ium-1-ylmethyl)-1H-pyrazole Openeye Name: 5-(2,4-dichlorophenyl)-4-(pyrrolidin-1-ium-1-ylmethyl)-1H-pyrazole CAS Name: 5-(2,4-dichlorophenyl)-4-(1-pyrrolidin-1-iumylmethyl)-1H-pyrazole IUPAC Name: 5-(2,4-dichlorophenyl)-4-(pyrrolidin-1-ium-1-ylmethyl)-1H-pyrazole Traditional Name: 5-(2,4-dichlorophenyl)-4-(pyrrolidin-1-ium-1-ylmethyl)-1H-pyrazole Formula: C14H16Cl2N3+ MolecularWeight: 297.20294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15Cl2N3/c15-11-3-4-12(13(16)7-11)14-10(8-17-18-14)9-19-5-1-2-6-19/h3-4,7-8H,1-2,5-6,9H2,(H,17,18)/p+1