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

Systemtic Name: (3R)-3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-4-[(3-phenoxyphenyl)methyl]piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-oxo-2-(1-piperidyl)ethyl]-4-[(3-phenoxyphenyl)methyl]piperazin-4-ium-2-one CAS Name: (3R)-3-[2-oxo-2-(1-piperidinyl)ethyl]-4-[(3-phenoxyphenyl)methyl]-2-piperazin-4-iumone IUPAC Name: (3R)-3-(2-oxo-2-piperidin-1-ylethyl)-4-[(3-phenoxyphenyl)methyl]piperazin-4-ium-2-one Traditional Name: (3R)-3-(2-keto-2-piperidino-ethyl)-4-(3-phenoxybenzyl)piperazin-4-ium-2-one Formula: C24H30N3O3+ MolecularWeight: 408.5133

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CC2C(=O)NCC[NH+]2CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C24H29N3O3/c28-23(26-13-5-2-6-14-26)17-22-24(29)25-12-15-27(22)18-19-8-7-11-21(16-19)30-20-9-3-1-4-10-20/h1,3-4,7-11,16,22H,2,5-6,12-15,17-18H2,(H,25,29)/p+1/t22-/m1/s1