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

Systemtic Name: 1-[(3S)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ium-1-yl-ethanone Openeye Name: 1-[(3S)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ium-1-yl-ethanone CAS Name: 1-[(3S)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-(1-pyrrolidin-1-iumyl)ethanone IUPAC Name: 1-[(3S)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ium-1-ylethanone Traditional Name: 1-[(5S)-3,5-bis(4-methoxyphenyl)-2-pyrazolin-1-yl]-2-pyrrolidin-1-ium-1-yl-ethanone Formula: C23H28N3O3+ MolecularWeight: 394.48672

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=O)C[NH+]3CCCC3)C4=CC=C(C=C4)OC

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2CC(=NN2C(=O)C[NH+]3CCCC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H27N3O3/c1-28-19-9-5-17(6-10-19)21-15-22(18-7-11-20(29-2)12-8-18)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