3-[(3R)-1-(3-phenoxypropanoyl)piperidin-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[(3R)-1-(3-phenoxypropanoyl)piperidin-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[(3R)-1-(3-phenoxypropanoyl)-3-piperidyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[(3R)-1-(1-oxo-3-phenoxypropyl)-3-piperidinyl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[(3R)-1-(3-phenoxypropanoyl)piperidin-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(3R)-1-(3-phenoxypropanoyl)-3-piperidyl]-1-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C26H35N4O3+ MolecularWeight: 451.5811

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCOC2=CC=CC=C2)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CCOC2=CC=CC=C2)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C26H34N4O3/c31-25(29-18-16-28(17-19-29)24-10-4-5-14-27-24)12-11-22-7-6-15-30(21-22)26(32)13-20-33-23-8-2-1-3-9-23/h1-5,8-10,14,22H,6-7,11-13,15-21H2/p+1/t22-/m1/s1