1-[(3R)-5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-3-morpholin-4-ium-4-yl-propan-1-one

Systemtic Name: 1-[(3R)-5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-3-morpholin-4-ium-4-yl-propan-1-one Openeye Name: 1-[(3R)-5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-3-morpholin-4-ium-4-yl-propan-1-one CAS Name: 1-[(3R)-5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-3-(4-morpholin-4-iumyl)-1-propanone IUPAC Name: 1-[(3R)-5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-3-morpholin-4-ium-4-ylpropan-1-one Traditional Name: 1-[(5R)-3-(4-bromophenyl)-5-(4-methoxyphenyl)-2-pyrazolin-1-yl]-3-morpholin-4-ium-4-yl-propan-1-one Formula: C23H27BrN3O3+ MolecularWeight: 473.38278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CC[NH+]3CCOCC3)C4=CC=C(C=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C23H26BrN3O3/c1-29-20-8-4-18(5-9-20)22-16-21(17-2-6-19(24)7-3-17)25-27(22)23(28)10-11-26-12-14-30-15-13-26/h2-9,22H,10-16H2,1H3/p+1/t22-/m1/s1