3-[(3R)-1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[(3R)-1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[(3R)-1-(4,6-dimethylpyrimidin-2-yl)-3-piperidyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[(3R)-1-(4,6-dimethyl-2-pyrimidinyl)-3-piperidinyl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[(3R)-1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(3R)-1-(4,6-dimethylpyrimidin-2-yl)-3-piperidyl]-1-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C23H33N6O+ MolecularWeight: 409.54772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCCC(C2)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCC[C@@H](C2)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)C

InChI

InChI=1S/C23H32N6O/c1-18-16-19(2)26-23(25-18)29-11-5-6-20(17-29)8-9-22(30)28-14-12-27(13-15-28)21-7-3-4-10-24-21/h3-4,7,10,16,20H,5-6,8-9,11-15,17H2,1-2H3/p+1/t20-/m1/s1