1-[(3R)-3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-3-piperidin-1-ium-1-yl-propan-1-one

Systemtic Name: 1-[(3R)-3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-3-piperidin-1-ium-1-yl-propan-1-one Openeye Name: 1-[(3R)-3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-3-piperidin-1-ium-1-yl-propan-1-one CAS Name: 1-[(3R)-3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-3-(1-piperidin-1-iumyl)-1-propanone IUPAC Name: 1-[(3R)-3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-3-piperidin-1-ium-1-ylpropan-1-one Traditional Name: 1-[(5R)-5-(1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)-2-pyrazolin-1-yl]-3-piperidin-1-ium-1-yl-propan-1-one Formula: C25H30N5O2+ MolecularWeight: 432.538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(C2)C3=NC4=CC=CC=C4N3)C(=O)CC[NH+]5CCCCC5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN([C@H](C2)C3=NC4=CC=CC=C4N3)C(=O)CC[NH+]5CCCCC5

InChI

InChI=1S/C25H29N5O2/c1-32-19-11-9-18(10-12-19)22-17-23(25-26-20-7-3-4-8-21(20)27-25)30(28-22)24(31)13-16-29-14-5-2-6-15-29/h3-4,7-12,23H,2,5-6,13-17H2,1H3,(H,26,27)/p+1/t23-/m1/s1