1-(4-ethylpiperazin-4-ium-1-yl)-3-[1-[(3S)-3-(5-methylfuran-2-yl)butyl]piperidin-1-ium-4-yl]propan-1-one

Systemtic Name: 1-(4-ethylpiperazin-4-ium-1-yl)-3-[1-[(3S)-3-(5-methylfuran-2-yl)butyl]piperidin-1-ium-4-yl]propan-1-one Openeye Name: 1-(4-ethylpiperazin-4-ium-1-yl)-3-[1-[(3S)-3-(5-methyl-2-furyl)butyl]piperidin-1-ium-4-yl]propan-1-one CAS Name: 1-(4-ethyl-1-piperazin-4-iumyl)-3-[1-[(3S)-3-(5-methyl-2-furanyl)butyl]-4-piperidin-1-iumyl]-1-propanone IUPAC Name: 1-(4-ethylpiperazin-4-ium-1-yl)-3-[1-[(3S)-3-(5-methylfuran-2-yl)butyl]piperidin-1-ium-4-yl]propan-1-one Traditional Name: 1-(4-ethylpiperazin-4-ium-1-yl)-3-[1-[(3S)-3-(5-methyl-2-furyl)butyl]piperidin-1-ium-4-yl]propan-1-one Formula: C23H41N3O2+2 MolecularWeight: 391.59054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)CCC2CC[NH+](CC2)CCC(C)C3=CC=C(O3)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)CCC2CC[NH+](CC2)CC[C@H](C)C3=CC=C(O3)C

InChI

InChI=1S/C23H39N3O2/c1-4-24-15-17-26(18-16-24)23(27)8-6-21-10-13-25(14-11-21)12-9-19(2)22-7-5-20(3)28-22/h5,7,19,21H,4,6,8-18H2,1-3H3/p+2/t19-/m0/s1