2-[4-(4-cyanophenyl)carbonylpiperazin-1-ium-1-yl]-N-(3-methoxypropyl)ethanamide

Systemtic Name: 2-[4-(4-cyanophenyl)carbonylpiperazin-1-ium-1-yl]-N-(3-methoxypropyl)ethanamide Openeye Name: 2-[4-(4-cyanobenzoyl)piperazin-1-ium-1-yl]-N-(3-methoxypropyl)acetamide CAS Name: 2-[4-[(4-cyanophenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(3-methoxypropyl)acetamide IUPAC Name: 2-[4-(4-cyanobenzoyl)piperazin-1-ium-1-yl]-N-(3-methoxypropyl)acetamide Traditional Name: 2-[4-(4-cyanobenzoyl)piperazin-1-ium-1-yl]-N-(3-methoxypropyl)acetamide Formula: C18H25N4O3+ MolecularWeight: 345.4161

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

COCCCNC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H24N4O3/c1-25-12-2-7-20-17(23)14-21-8-10-22(11-9-21)18(24)16-5-3-15(13-19)4-6-16/h3-6H,2,7-12,14H2,1H3,(H,20,23)/p+1