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

Systemtic Name: 2-[4-[(2-cyanophenyl)methyl]piperazin-1-ium-1-yl]-N-(2-methylpropyl)ethanamide Openeye Name: 2-[4-[(2-cyanophenyl)methyl]piperazin-1-ium-1-yl]-N-isobutyl-acetamide CAS Name: 2-[4-[(2-cyanophenyl)methyl]-1-piperazin-1-iumyl]-N-(2-methylpropyl)acetamide IUPAC Name: 2-[4-[(2-cyanophenyl)methyl]piperazin-1-ium-1-yl]-N-(2-methylpropyl)acetamide Traditional Name: 2-[4-(2-cyanobenzyl)piperazin-1-ium-1-yl]-N-isobutyl-acetamide Formula: C18H27N4O+ MolecularWeight: 315.43318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C[NH+]1CCN(CC1)CC2=CC=CC=C2C#N

Isomeric SMILES

CC(C)CNC(=O)C[NH+]1CCN(CC1)CC2=CC=CC=C2C#N

InChI

InChI=1S/C18H26N4O/c1-15(2)12-20-18(23)14-22-9-7-21(8-10-22)13-17-6-4-3-5-16(17)11-19/h3-6,15H,7-10,12-14H2,1-2H3,(H,20,23)/p+1