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

Systemtic Name: 3-[(3R)-1-(phenylmethyl)piperidin-1-ium-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[(3R)-1-benzylpiperidin-1-ium-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[(3R)-1-(phenylmethyl)-3-piperidin-1-iumyl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[(3R)-1-benzylpiperidin-1-ium-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(3R)-1-benzylpiperidin-1-ium-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C24H34N4O+2 MolecularWeight: 394.55296

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=C2)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=C2)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C24H32N4O/c29-24(28-17-15-27(16-18-28)23-10-4-5-13-25-23)12-11-22-9-6-14-26(20-22)19-21-7-2-1-3-8-21/h1-5,7-8,10,13,22H,6,9,11-12,14-20H2/p+2/t22-/m1/s1