5-(3,4-dimethylphenyl)-4-(pyrrolidin-1-ium-1-ylmethyl)-1H-pyrazole

Systemtic Name: 5-(3,4-dimethylphenyl)-4-(pyrrolidin-1-ium-1-ylmethyl)-1H-pyrazole Openeye Name: 5-(3,4-dimethylphenyl)-4-(pyrrolidin-1-ium-1-ylmethyl)-1H-pyrazole CAS Name: 5-(3,4-dimethylphenyl)-4-(1-pyrrolidin-1-iumylmethyl)-1H-pyrazole IUPAC Name: 5-(3,4-dimethylphenyl)-4-(pyrrolidin-1-ium-1-ylmethyl)-1H-pyrazole Traditional Name: 5-(3,4-dimethylphenyl)-4-(pyrrolidin-1-ium-1-ylmethyl)-1H-pyrazole Formula: C16H22N3+ MolecularWeight: 256.36598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3/c1-12-5-6-14(9-13(12)2)16-15(10-17-18-16)11-19-7-3-4-8-19/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H,17,18)/p+1