3,5-dimethyl-1-[(3S)-pyrrolidin-1-ium-3-yl]pyrazole

Systemtic Name: 3,5-dimethyl-1-[(3S)-pyrrolidin-1-ium-3-yl]pyrazole Openeye Name: 3,5-dimethyl-1-[(3S)-pyrrolidin-1-ium-3-yl]pyrazole CAS Name: 3,5-dimethyl-1-[(3S)-3-pyrrolidin-1-iumyl]pyrazole IUPAC Name: 3,5-dimethyl-1-[(3S)-pyrrolidin-1-ium-3-yl]pyrazole Traditional Name: 3,5-dimethyl-1-[(3S)-pyrrolidin-1-ium-3-yl]pyrazole Formula: C9H16N3+ MolecularWeight: 166.24344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2CC[NH2+]C2)C

Isomeric SMILES

CC1=CC(=NN1[C@H]2CC[NH2+]C2)C

InChI

InChI=1S/C9H15N3/c1-7-5-8(2)12(11-7)9-3-4-10-6-9/h5,9-10H,3-4,6H2,1-2H3/p+1/t9-/m0/s1