3-[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-1-ium-4-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-1-ium-4-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one Openeye Name: 3-[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-1-ium-4-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one CAS Name: 3-[1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-piperidin-1-iumyl]-1-(4-ethyl-1-piperazinyl)-1-propanone IUPAC Name: 3-[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-1-ium-4-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one Traditional Name: 3-[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-1-ium-4-yl]-1-(4-ethylpiperazino)propan-1-one Formula: C22H40N5O+ MolecularWeight: 390.5859

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1)C[NH+]2CCC(CC2)CCC(=O)N3CCN(CC3)CC

Isomeric SMILES

CCCCC1=NC=C(N1)C[NH+]2CCC(CC2)CCC(=O)N3CCN(CC3)CC

InChI

InChI=1S/C22H39N5O/c1-3-5-6-21-23-17-20(24-21)18-26-11-9-19(10-12-26)7-8-22(28)27-15-13-25(4-2)14-16-27/h17,19H,3-16,18H2,1-2H3,(H,23,24)/p+1