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

Systemtic Name: 1-[(3S)-3,5-bis(4-methoxyphenyl)-1,3-dihydropyrazol-2-yl]-2-morpholin-4-ium-4-yl-ethanone Openeye Name: 1-[(3S)-3,5-bis(4-methoxyphenyl)-1,3-dihydropyrazol-2-yl]-2-morpholin-4-ium-4-yl-ethanone CAS Name: 1-[(3S)-3,5-bis(4-methoxyphenyl)-1,3-dihydropyrazol-2-yl]-2-(4-morpholin-4-iumyl)ethanone IUPAC Name: 1-[(3S)-3,5-bis(4-methoxyphenyl)-1,3-dihydropyrazol-2-yl]-2-morpholin-4-ium-4-ylethanone Traditional Name: 1-[(5S)-3,5-bis(4-methoxyphenyl)-3-pyrazolin-1-yl]-2-morpholin-4-ium-4-yl-ethanone Formula: C23H28N3O4+ MolecularWeight: 410.48612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C=C(NN2C(=O)C[NH+]3CCOCC3)C4=CC=C(C=C4)OC

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2C=C(NN2C(=O)C[NH+]3CCOCC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H27N3O4/c1-28-19-7-3-17(4-8-19)21-15-22(18-5-9-20(29-2)10-6-18)26(24-21)23(27)16-25-11-13-30-14-12-25/h3-10,15,22,24H,11-14,16H2,1-2H3/p+1/t22-/m0/s1