3-[(3R)-1-(1H-imidazol-2-ylmethyl)piperidin-1-ium-3-yl]-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-[(3R)-1-(1H-imidazol-2-ylmethyl)piperidin-1-ium-3-yl]-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-3-[(3R)-1-(1H-imidazol-2-ylmethyl)piperidin-1-ium-3-yl]propan-1-one CAS Name: 3-[(3R)-1-(1H-imidazol-2-ylmethyl)-3-piperidin-1-iumyl]-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-[(3R)-1-(1H-imidazol-2-ylmethyl)piperidin-1-ium-3-yl]propan-1-one Traditional Name: 1-(4-benzylpiperazino)-3-[(3R)-1-(1H-imidazol-2-ylmethyl)piperidin-1-ium-3-yl]propan-1-one Formula: C23H34N5O+ MolecularWeight: 396.54896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=NC=CN2)CCC(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=NC=CN2)CCC(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H33N5O/c29-23(28-15-13-26(14-16-28)17-20-5-2-1-3-6-20)9-8-21-7-4-12-27(18-21)19-22-24-10-11-25-22/h1-3,5-6,10-11,21H,4,7-9,12-19H2,(H,24,25)/p+1/t21-/m1/s1