3-[(3S)-1-(1-phenylcyclopropyl)carbonylpiperidin-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[(3S)-1-(1-phenylcyclopropyl)carbonylpiperidin-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[(3S)-1-(1-phenylcyclopropanecarbonyl)-3-piperidyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[(3S)-1-[oxo-(1-phenylcyclopropyl)methyl]-3-piperidinyl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[(3S)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(3S)-1-(1-phenylcyclopropanecarbonyl)-3-piperidyl]-1-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C27H35N4O2+ MolecularWeight: 447.5924

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2(CC2)C3=CC=CC=C3)CCC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

C1C[C@H](CN(C1)C(=O)C2(CC2)C3=CC=CC=C3)CCC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C27H34N4O2/c32-25(30-19-17-29(18-20-30)24-10-4-5-15-28-24)12-11-22-7-6-16-31(21-22)26(33)27(13-14-27)23-8-2-1-3-9-23/h1-5,8-10,15,22H,6-7,11-14,16-21H2/p+1/t22-/m0/s1