1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-3-[(3R)-1-quinolin-1-ium-2-ylpiperidin-3-yl]propan-1-one

Systemtic Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-3-[(3R)-1-quinolin-1-ium-2-ylpiperidin-3-yl]propan-1-one Openeye Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-3-[(3R)-1-quinolin-1-ium-2-yl-3-piperidyl]propan-1-one CAS Name: 1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-[(3R)-1-(2-quinolin-1-iumyl)-3-piperidinyl]-1-propanone IUPAC Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-3-[(3R)-1-quinolin-1-ium-2-ylpiperidin-3-yl]propan-1-one Traditional Name: 1-(4-pyridin-1-ium-2-ylpiperazino)-3-[(3R)-1-quinolin-1-ium-2-yl-3-piperidyl]propan-1-one Formula: C26H33N5O+2 MolecularWeight: 431.57312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=[NH+]C3=CC=CC=C3C=C2)CCC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

C1C[C@@H](CN(C1)C2=[NH+]C3=CC=CC=C3C=C2)CCC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C26H31N5O/c32-26(30-18-16-29(17-19-30)24-9-3-4-14-27-24)13-10-21-6-5-15-31(20-21)25-12-11-22-7-1-2-8-23(22)28-25/h1-4,7-9,11-12,14,21H,5-6,10,13,15-20H2/p+2/t21-/m1/s1