(3R)-4-(2-methylpropyl)-3-[2-oxidanylidene-2-(4-phenylmethoxypiperidin-1-yl)ethyl]piperazin-4-ium-2-one

Systemtic Name: (3R)-4-(2-methylpropyl)-3-[2-oxidanylidene-2-(4-phenylmethoxypiperidin-1-yl)ethyl]piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-(4-benzyloxy-1-piperidyl)-2-oxo-ethyl]-4-isobutyl-piperazin-4-ium-2-one CAS Name: (3R)-4-(2-methylpropyl)-3-[2-oxo-2-(4-phenylmethoxy-1-piperidinyl)ethyl]-2-piperazin-4-iumone IUPAC Name: (3R)-4-(2-methylpropyl)-3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]piperazin-4-ium-2-one Traditional Name: (3R)-3-[2-(4-benzoxypiperidino)-2-keto-ethyl]-4-isobutyl-piperazin-4-ium-2-one Formula: C22H34N3O3+ MolecularWeight: 388.52366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCNC(=O)C1CC(=O)N2CCC(CC2)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)C[NH+]1CCNC(=O)[C@H]1CC(=O)N2CCC(CC2)OCC3=CC=CC=C3

InChI

InChI=1S/C22H33N3O3/c1-17(2)15-25-13-10-23-22(27)20(25)14-21(26)24-11-8-19(9-12-24)28-16-18-6-4-3-5-7-18/h3-7,17,19-20H,8-16H2,1-2H3,(H,23,27)/p+1/t20-/m1/s1