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

Systemtic Name: 1-[(3S)-5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-3-piperidin-1-ium-1-yl-propan-1-one Openeye Name: 1-[(3S)-5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-3-piperidin-1-ium-1-yl-propan-1-one CAS Name: 1-[(3S)-5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-3-(1-piperidin-1-iumyl)-1-propanone IUPAC Name: 1-[(3S)-5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-3-piperidin-1-ium-1-ylpropan-1-one Traditional Name: 1-[(5S)-3-(4-bromophenyl)-5-(4-methoxyphenyl)-2-pyrazolin-1-yl]-3-piperidin-1-ium-1-yl-propan-1-one Formula: C24H29BrN3O2+ MolecularWeight: 471.40996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CC[NH+]3CCCCC3)C4=CC=C(C=C4)Br

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2CC(=NN2C(=O)CC[NH+]3CCCCC3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C24H28BrN3O2/c1-30-21-11-7-19(8-12-21)23-17-22(18-5-9-20(25)10-6-18)26-28(23)24(29)13-16-27-14-3-2-4-15-27/h5-12,23H,2-4,13-17H2,1H3/p+1/t23-/m0/s1