N-[(5-methyl-1H-imidazol-3-ium-2-yl)methyl]-2-[(2R)-3-oxidanylidene-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-[(5-methyl-1H-imidazol-3-ium-2-yl)methyl]-2-[(2R)-3-oxidanylidene-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanamide Openeye Name: N-[(5-methyl-1H-imidazol-3-ium-2-yl)methyl]-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]acetamide CAS Name: N-[(5-methyl-1H-imidazol-3-ium-2-yl)methyl]-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[(5-methyl-1H-imidazol-3-ium-2-yl)methyl]-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[(2R)-3-keto-1-(3-phenoxybenzyl)piperazin-1-ium-2-yl]-N-[(5-methyl-1H-imidazol-3-ium-2-yl)methyl]acetamide Formula: C24H29N5O3+2 MolecularWeight: 435.51876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[NH+]=C(N1)CNC(=O)CC2C(=O)NCC[NH+]2CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CC1=C[NH+]=C(N1)CNC(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C24H27N5O3/c1-17-14-26-22(28-17)15-27-23(30)13-21-24(31)25-10-11-29(21)16-18-6-5-9-20(12-18)32-19-7-3-2-4-8-19/h2-9,12,14,21H,10-11,13,15-16H2,1H3,(H,25,31)(H,26,28)(H,27,30)/p+2/t21-/m1/s1