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

Systemtic Name: N-[(5-methylpyrazin-2-yl)methyl]-2-[(2R)-3-oxidanylidene-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanamide Openeye Name: N-[(5-methylpyrazin-2-yl)methyl]-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]acetamide CAS Name: N-[(5-methyl-2-pyrazinyl)methyl]-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[(5-methylpyrazin-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-methylpyrazin-2-yl)methyl]acetamide Formula: C25H28N5O3+ MolecularWeight: 446.52152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N5O3/c1-18-14-28-20(15-27-18)16-29-24(31)13-23-25(32)26-10-11-30(23)17-19-6-5-9-22(12-19)33-21-7-3-2-4-8-21/h2-9,12,14-15,23H,10-11,13,16-17H2,1H3,(H,26,32)(H,29,31)/p+1/t23-/m1/s1