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

Systemtic Name: 2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)ethanamide Openeye Name: 2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)acetamide CAS Name: 2-[4-[(4-cyanophenyl)methyl]-1-piperazin-1-iumyl]-N-(3-methoxypropyl)acetamide IUPAC Name: 2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)acetamide Traditional Name: 2-[4-(4-cyanobenzyl)piperazin-1-ium-1-yl]-N-(3-methoxypropyl)acetamide Formula: C18H27N4O2+ MolecularWeight: 331.43258

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C[NH+]1CCN(CC1)CC2=CC=C(C=C2)C#N

Isomeric SMILES

COCCCNC(=O)C[NH+]1CCN(CC1)CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H26N4O2/c1-24-12-2-7-20-18(23)15-22-10-8-21(9-11-22)14-17-5-3-16(13-19)4-6-17/h3-6H,2,7-12,14-15H2,1H3,(H,20,23)/p+1