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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=NN2C(=O)C[NH+]3CCOCC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H]2CC(=NN2C(=O)C[NH+]3CCOCC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H27N3O3/c1-17-3-5-19(6-4-17)22-15-21(18-7-9-20(28-2)10-8-18)24-26(22)23(27)16-25-11-13-29-14-12-25/h3-10,22H,11-16H2,1-2H3/p+1/t22-/m0/s1