3-[1-[(2R)-1-oxidanylidene-1-[4-(phenylmethyl)piperidin-1-yl]propan-2-yl]piperidin-1-ium-4-yl]-1H-benzimidazol-2-one

Systemtic Name: 3-[1-[(2R)-1-oxidanylidene-1-[4-(phenylmethyl)piperidin-1-yl]propan-2-yl]piperidin-1-ium-4-yl]-1H-benzimidazol-2-one Openeye Name: 3-[1-[(1R)-2-(4-benzyl-1-piperidyl)-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-yl]-1H-benzimidazol-2-one CAS Name: 3-[1-[(2R)-1-oxo-1-[4-(phenylmethyl)-1-piperidinyl]propan-2-yl]-4-piperidin-1-iumyl]-1H-benzimidazol-2-one IUPAC Name: 3-[1-[(2R)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]piperidin-1-ium-4-yl]-1H-benzimidazol-2-one Traditional Name: 3-[1-[(1R)-2-(4-benzylpiperidino)-2-keto-1-methyl-ethyl]piperidin-1-ium-4-yl]-1H-benzimidazol-2-one Formula: C27H35N4O2+ MolecularWeight: 447.5924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)CC2=CC=CC=C2)[NH+]3CCC(CC3)N4C5=CC=CC=C5NC4=O

Isomeric SMILES

C[C@H](C(=O)N1CCC(CC1)CC2=CC=CC=C2)[NH+]3CCC(CC3)N4C5=CC=CC=C5NC4=O

InChI

InChI=1S/C27H34N4O2/c1-20(26(32)30-15-11-22(12-16-30)19-21-7-3-2-4-8-21)29-17-13-23(14-18-29)31-25-10-6-5-9-24(25)28-27(31)33/h2-10,20,22-23H,11-19H2,1H3,(H,28,33)/p+1/t20-/m1/s1