3-[(3R)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[(3R)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[(3R)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[(3R)-1-(1H-pyrazol-5-ylmethyl)-3-piperidin-1-iumyl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[(3R)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(3R)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C21H32N6O+2 MolecularWeight: 384.51838

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=NN2)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=NN2)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H30N6O/c28-21(27-14-12-26(13-15-27)20-5-1-2-9-22-20)7-6-18-4-3-11-25(16-18)17-19-8-10-23-24-19/h1-2,5,8-10,18H,3-4,6-7,11-17H2,(H,23,24)/p+2/t18-/m1/s1