(2R)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-1-[4-(phenylmethyl)piperidin-1-yl]propan-1-one

Systemtic Name: (2R)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-1-[4-(phenylmethyl)piperidin-1-yl]propan-1-one Openeye Name: (2R)-1-(4-benzyl-1-piperidyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propan-1-one CAS Name: (2R)-2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-[4-(phenylmethyl)-1-piperidinyl]-1-propanone IUPAC Name: (2R)-1-(4-benzylpiperidin-1-yl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propan-1-one Traditional Name: (2R)-1-(4-benzylpiperidino)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propan-1-one Formula: C26H36N3O2+ MolecularWeight: 422.58294

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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=C4OC

Isomeric SMILES

C[C@H](C(=O)N1CCC(CC1)CC2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C26H35N3O2/c1-21(27-16-18-28(19-17-27)24-10-6-7-11-25(24)31-2)26(30)29-14-12-23(13-15-29)20-22-8-4-3-5-9-22/h3-11,21,23H,12-20H2,1-2H3/p+1/t21-/m1/s1