N-[(1-oxidanylcyclohexyl)methyl]-2-[(2R)-3-oxidanylidene-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-[(1-oxidanylcyclohexyl)methyl]-2-[(2R)-3-oxidanylidene-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanamide Openeye Name: N-[(1-hydroxycyclohexyl)methyl]-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]acetamide CAS Name: N-[(1-hydroxycyclohexyl)methyl]-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1-hydroxycyclohexyl)methyl]-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]acetamide Traditional Name: N-[(1-hydroxycyclohexyl)methyl]-2-[(2R)-3-keto-1-(3-phenoxybenzyl)piperazin-1-ium-2-yl]acetamide Formula: C26H34N3O4+ MolecularWeight: 452.56586

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)CC2C(=O)NCC[NH+]2CC3=CC(=CC=C3)OC4=CC=CC=C4)O

Isomeric SMILES

C1CCC(CC1)(CNC(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC(=CC=C3)OC4=CC=CC=C4)O

InChI

InChI=1S/C26H33N3O4/c30-24(28-19-26(32)12-5-2-6-13-26)17-23-25(31)27-14-15-29(23)18-20-8-7-11-22(16-20)33-21-9-3-1-4-10-21/h1,3-4,7-11,16,23,32H,2,5-6,12-15,17-19H2,(H,27,31)(H,28,30)/p+1/t23-/m1/s1