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

Systemtic Name: 3-[(3R)-1-(2-cyclohexylethanoyl)piperidin-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[(3R)-1-(2-cyclohexylacetyl)-3-piperidyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[(3R)-1-(2-cyclohexyl-1-oxoethyl)-3-piperidinyl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[(3R)-1-(2-cyclohexylacetyl)piperidin-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(3R)-1-(2-cyclohexylacetyl)-3-piperidyl]-1-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C25H39N4O2+ MolecularWeight: 427.60276

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(=O)N2CCCC(C2)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CCC(CC1)CC(=O)N2CCC[C@@H](C2)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C25H38N4O2/c30-24(28-17-15-27(16-18-28)23-10-4-5-13-26-23)12-11-22-9-6-14-29(20-22)25(31)19-21-7-2-1-3-8-21/h4-5,10,13,21-22H,1-3,6-9,11-12,14-20H2/p+1/t22-/m1/s1