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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)CC2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C[C@H](C(=O)N1CCC(CC1)CC2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C24H32N4O/c1-20(26-15-17-27(18-16-26)23-9-5-6-12-25-23)24(29)28-13-10-22(11-14-28)19-21-7-3-2-4-8-21/h2-9,12,20,22H,10-11,13-19H2,1H3/p+2/t20-/m1/s1