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

Systemtic Name: 3-[(3R)-1-[(5-cyclopropyl-1H-pyrazol-3-yl)carbonyl]piperidin-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[(3R)-1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-3-piperidyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[(3R)-1-[(5-cyclopropyl-1H-pyrazol-3-yl)-oxomethyl]-3-piperidinyl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[(3R)-1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(3R)-1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-3-piperidyl]-1-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C24H33N6O2+ MolecularWeight: 437.55782

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=NNC(=C2)C3CC3)CCC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=NNC(=C2)C3CC3)CCC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C24H32N6O2/c31-23(29-14-12-28(13-15-29)22-5-1-2-10-25-22)9-6-18-4-3-11-30(17-18)24(32)21-16-20(26-27-21)19-7-8-19/h1-2,5,10,16,18-19H,3-4,6-9,11-15,17H2,(H,26,27)/p+1/t18-/m1/s1