(3R)-4-cyclopentyl-3-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]piperazin-4-ium-2-one

Systemtic Name: (3R)-4-cyclopentyl-3-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]-4-cyclopentyl-piperazin-4-ium-2-one CAS Name: (3R)-4-cyclopentyl-3-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-cyclopentylpiperazin-4-ium-2-one Traditional Name: (3R)-3-[2-(4-benzylpiperidino)-2-keto-ethyl]-4-cyclopentyl-piperazin-4-ium-2-one Formula: C23H34N3O2+ MolecularWeight: 384.53496

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCNC(=O)C2CC(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)[NH+]2CCNC(=O)[C@H]2CC(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H33N3O2/c27-22(17-21-23(28)24-12-15-26(21)20-8-4-5-9-20)25-13-10-19(11-14-25)16-18-6-2-1-3-7-18/h1-3,6-7,19-21H,4-5,8-17H2,(H,24,28)/p+1/t21-/m1/s1