1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-3-[(3R)-1-(quinoxalin-5-ylmethyl)piperidin-1-ium-3-yl]propan-1-one

Systemtic Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-3-[(3R)-1-(quinoxalin-5-ylmethyl)piperidin-1-ium-3-yl]propan-1-one Openeye Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-3-[(3R)-1-(quinoxalin-5-ylmethyl)piperidin-1-ium-3-yl]propan-1-one CAS Name: 1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-[(3R)-1-(5-quinoxalinylmethyl)-3-piperidin-1-iumyl]-1-propanone IUPAC Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-3-[(3R)-1-(quinoxalin-5-ylmethyl)piperidin-1-ium-3-yl]propan-1-one Traditional Name: 1-(4-pyridin-1-ium-2-ylpiperazino)-3-[(3R)-1-(quinoxalin-5-ylmethyl)piperidin-1-ium-3-yl]propan-1-one Formula: C26H34N6O+2 MolecularWeight: 446.58776

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=C3C(=CC=C2)N=CC=N3)CCC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=C3C(=CC=C2)N=CC=N3)CCC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C26H32N6O/c33-25(32-17-15-31(16-18-32)24-8-1-2-11-28-24)10-9-21-5-4-14-30(19-21)20-22-6-3-7-23-26(22)29-13-12-27-23/h1-3,6-8,11-13,21H,4-5,9-10,14-20H2/p+2/t21-/m1/s1