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

Systemtic Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-3-[(3R)-1-(quinolin-2-ylmethyl)piperidin-1-ium-3-yl]propan-1-one Openeye Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-3-[(3R)-1-(2-quinolylmethyl)piperidin-1-ium-3-yl]propan-1-one CAS Name: 1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-[(3R)-1-(2-quinolinylmethyl)-3-piperidin-1-iumyl]-1-propanone IUPAC Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-3-[(3R)-1-(quinolin-2-ylmethyl)piperidin-1-ium-3-yl]propan-1-one Traditional Name: 1-(4-pyridin-1-ium-2-ylpiperazino)-3-[(3R)-1-(2-quinolylmethyl)piperidin-1-ium-3-yl]propan-1-one Formula: C27H35N5O+2 MolecularWeight: 445.5997

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=NC3=CC=CC=C3C=C2)CCC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=NC3=CC=CC=C3C=C2)CCC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C27H33N5O/c33-27(32-18-16-31(17-19-32)26-9-3-4-14-28-26)13-10-22-6-5-15-30(20-22)21-24-12-11-23-7-1-2-8-25(23)29-24/h1-4,7-9,11-12,14,22H,5-6,10,13,15-21H2/p+2/t22-/m1/s1