N-[(2,4-dimethoxyphenyl)methyl]-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-[(2,4-dimethoxyphenyl)methyl]-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-[(2,4-dimethoxyphenyl)methyl]-2-[(2R)-1-(2-naphthylmethyl)-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: N-[(2,4-dimethoxyphenyl)methyl]-2-[(2R)-1-(2-naphthalenylmethyl)-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2,4-dimethoxyphenyl)methyl]-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: N-(2,4-dimethoxybenzyl)-2-[(2R)-3-keto-1-(2-naphthylmethyl)piperazin-1-ium-2-yl]acetamide Formula: C26H30N3O4+ MolecularWeight: 448.5341

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CNC(=O)CC2C(=O)NCC[NH+]2CC3=CC4=CC=CC=C4C=C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CNC(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC4=CC=CC=C4C=C3)OC

InChI

InChI=1S/C26H29N3O4/c1-32-22-10-9-21(24(14-22)33-2)16-28-25(30)15-23-26(31)27-11-12-29(23)17-18-7-8-19-5-3-4-6-20(19)13-18/h3-10,13-14,23H,11-12,15-17H2,1-2H3,(H,27,31)(H,28,30)/p+1/t23-/m1/s1