2-[3-[2,3-bis(oxidanylidene)piperazin-1-yl]propoxy]benzenecarboximidamide ethanoate

Systemtic Name: 2-[3-[2,3-bis(oxidanylidene)piperazin-1-yl]propoxy]benzenecarboximidamide ethanoate Openeye Name: 2-[3-(2,3-dioxopiperazin-1-yl)propoxy]benzamidine acetate CAS Name: 2-[3-(2,3-dioxo-1-piperazinyl)propoxy]benzenecarboximidamide acetate IUPAC Name: 2-[3-(2,3-dioxopiperazin-1-yl)propoxy]benzenecarboximidamide acetate Traditional Name: 2-[3-(2,3-diketopiperazino)propoxy]benzamidine acetate Formula: C16H21N4O5- MolecularWeight: 349.36174

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C1CN(C(=O)C(=O)N1)CCCOC2=CC=CC=C2C(=N)N

Isomeric SMILES

CC(=O)[O-].C1CN(C(=O)C(=O)N1)CCCOC2=CC=CC=C2C(=N)N

InChI

InChI=1S/C14H18N4O3.C2H4O2/c15-12(16)10-4-1-2-5-11(10)21-9-3-7-18-8-6-17-13(19)14(18)20;1-2(3)4/h1-2,4-5H,3,6-9H2,(H3,15,16)(H,17,19);1H3,(H,3,4)/p-1