3-[(3R)-1-(2-ethyl-5-methyl-pyrazol-3-yl)carbonylpiperidin-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[(3R)-1-(2-ethyl-5-methyl-pyrazol-3-yl)carbonylpiperidin-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[(3R)-1-(2-ethyl-5-methyl-pyrazole-3-carbonyl)-3-piperidyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[(3R)-1-[(2-ethyl-5-methyl-3-pyrazolyl)-oxomethyl]-3-piperidinyl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[(3R)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(3R)-1-(2-ethyl-5-methyl-pyrazole-3-carbonyl)-3-piperidyl]-1-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C24H35N6O2+ MolecularWeight: 439.5737

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=N1)C)C(=O)N2CCCC(C2)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CCN1C(=CC(=N1)C)C(=O)N2CCC[C@@H](C2)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C24H34N6O2/c1-3-30-21(17-19(2)26-30)24(32)29-12-6-7-20(18-29)9-10-23(31)28-15-13-27(14-16-28)22-8-4-5-11-25-22/h4-5,8,11,17,20H,3,6-7,9-10,12-16,18H2,1-2H3/p+1/t20-/m1/s1