1-(4-ethylpiperazin-4-ium-1-yl)-3-[1-[(2R)-1-(4-methylpyridin-2-yl)propan-2-yl]piperidin-1-ium-4-yl]propan-1-one

Systemtic Name: 1-(4-ethylpiperazin-4-ium-1-yl)-3-[1-[(2R)-1-(4-methylpyridin-2-yl)propan-2-yl]piperidin-1-ium-4-yl]propan-1-one Openeye Name: 1-(4-ethylpiperazin-4-ium-1-yl)-3-[1-[(1R)-1-methyl-2-(4-methyl-2-pyridyl)ethyl]piperidin-1-ium-4-yl]propan-1-one CAS Name: 1-(4-ethyl-1-piperazin-4-iumyl)-3-[1-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]-4-piperidin-1-iumyl]-1-propanone IUPAC Name: 1-(4-ethylpiperazin-4-ium-1-yl)-3-[1-[(2R)-1-(4-methylpyridin-2-yl)propan-2-yl]piperidin-1-ium-4-yl]propan-1-one Traditional Name: 1-(4-ethylpiperazin-4-ium-1-yl)-3-[1-[(1R)-1-methyl-2-(4-methyl-2-pyridyl)ethyl]piperidin-1-ium-4-yl]propan-1-one Formula: C23H40N4O+2 MolecularWeight: 388.5899

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)CCC2CC[NH+](CC2)C(C)CC3=NC=CC(=C3)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)CCC2CC[NH+](CC2)[C@H](C)CC3=NC=CC(=C3)C

InChI

InChI=1S/C23H38N4O/c1-4-25-13-15-27(16-14-25)23(28)6-5-21-8-11-26(12-9-21)20(3)18-22-17-19(2)7-10-24-22/h7,10,17,20-21H,4-6,8-9,11-16,18H2,1-3H3/p+2/t20-/m1/s1