1-[(3S)-3,5-bis(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ium-1-yl-ethanone

Systemtic Name: 1-[(3S)-3,5-bis(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ium-1-yl-ethanone Openeye Name: 1-[(3S)-3,5-bis(p-tolyl)-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ium-1-yl-ethanone CAS Name: 1-[(3S)-3,5-bis(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(1-pyrrolidin-1-iumyl)ethanone IUPAC Name: 1-[(3S)-3,5-bis(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ium-1-ylethanone Traditional Name: 1-[(5S)-3,5-bis(p-tolyl)-2-pyrazolin-1-yl]-2-pyrrolidin-1-ium-1-yl-ethanone Formula: C23H28N3O+ MolecularWeight: 362.48792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=NN2C(=O)C[NH+]3CCCC3)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H]2CC(=NN2C(=O)C[NH+]3CCCC3)C4=CC=C(C=C4)C

InChI

InChI=1S/C23H27N3O/c1-17-5-9-19(10-6-17)21-15-22(20-11-7-18(2)8-12-20)26(24-21)23(27)16-25-13-3-4-14-25/h5-12,22H,3-4,13-16H2,1-2H3/p+1/t22-/m0/s1