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

Systemtic Name: 1-[(3S)-3-(5-methylfuran-2-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ium-4-yl-ethanone Openeye Name: 1-[(3S)-3-(5-methyl-2-furyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ium-4-yl-ethanone CAS Name: 1-[(3S)-3-(5-methyl-2-furanyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-(4-morpholin-4-iumyl)ethanone IUPAC Name: 1-[(3S)-3-(5-methylfuran-2-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ium-4-ylethanone Traditional Name: 1-[(5S)-5-(5-methyl-2-furyl)-3-phenyl-2-pyrazolin-1-yl]-2-morpholin-4-ium-4-yl-ethanone Formula: C20H24N3O3+ MolecularWeight: 354.42286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2CC(=NN2C(=O)C[NH+]3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(O1)[C@@H]2CC(=NN2C(=O)C[NH+]3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C20H23N3O3/c1-15-7-8-19(26-15)18-13-17(16-5-3-2-4-6-16)21-23(18)20(24)14-22-9-11-25-12-10-22/h2-8,18H,9-14H2,1H3/p+1/t18-/m0/s1