[(1S,4S)-4-(3,5-dimethyl-1-pyridin-2-yl-pyrazol-4-yl)cyclopent-2-en-1-yl]-(phenylmethyl)azanium

Systemtic Name: [(1S,4S)-4-(3,5-dimethyl-1-pyridin-2-yl-pyrazol-4-yl)cyclopent-2-en-1-yl]-(phenylmethyl)azanium Openeye Name: benzyl-[(1S,4S)-4-[3,5-dimethyl-1-(2-pyridyl)pyrazol-4-yl]cyclopent-2-en-1-yl]ammonium CAS Name: [(1S,4S)-4-[3,5-dimethyl-1-(2-pyridinyl)-4-pyrazolyl]-1-cyclopent-2-enyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(1S,4S)-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)cyclopent-2-en-1-yl]azanium Traditional Name: benzyl-[(1S,4S)-4-[3,5-dimethyl-1-(2-pyridyl)pyrazol-4-yl]cyclopent-2-en-1-yl]ammonium Formula: C22H25N4+ MolecularWeight: 345.4607

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=N2)C)C3CC(C=C3)[NH2+]CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=N2)C)[C@H]3C[C@@H](C=C3)[NH2+]CC4=CC=CC=C4

InChI

InChI=1S/C22H24N4/c1-16-22(17(2)26(25-16)21-10-6-7-13-23-21)19-11-12-20(14-19)24-15-18-8-4-3-5-9-18/h3-13,19-20,24H,14-15H2,1-2H3/p+1/t19-,20-/m1/s1