N-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(4-benzyloxy-3-methoxy-phenyl)methyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: N-(4-benzoxy-3-methoxy-benzyl)-2-(3-ketopiperazin-1-ium-1-yl)acetamide Formula: C21H26N3O4+ MolecularWeight: 384.44884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC(=O)C[NH+]2CCNC(=O)C2)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)CNC(=O)C[NH+]2CCNC(=O)C2)OCC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O4/c1-27-19-11-17(7-8-18(19)28-15-16-5-3-2-4-6-16)12-23-21(26)14-24-10-9-22-20(25)13-24/h2-8,11H,9-10,12-15H2,1H3,(H,22,25)(H,23,26)/p+1