2-[4-(4-cyanopyridin-2-yl)piperazin-1-ium-1-yl]-N-[2-(3-methylphenoxy)ethyl]ethanamide

Systemtic Name: 2-[4-(4-cyanopyridin-2-yl)piperazin-1-ium-1-yl]-N-[2-(3-methylphenoxy)ethyl]ethanamide Openeye Name: 2-[4-(4-cyano-2-pyridyl)piperazin-1-ium-1-yl]-N-[2-(3-methylphenoxy)ethyl]acetamide CAS Name: 2-[4-(4-cyano-2-pyridinyl)-1-piperazin-1-iumyl]-N-[2-(3-methylphenoxy)ethyl]acetamide IUPAC Name: 2-[4-(4-cyanopyridin-2-yl)piperazin-1-ium-1-yl]-N-[2-(3-methylphenoxy)ethyl]acetamide Traditional Name: 2-[4-(4-cyano-2-pyridyl)piperazin-1-ium-1-yl]-N-[2-(3-methylphenoxy)ethyl]acetamide Formula: C21H26N5O2+ MolecularWeight: 380.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCNC(=O)C[NH+]2CCN(CC2)C3=NC=CC(=C3)C#N

Isomeric SMILES

CC1=CC(=CC=C1)OCCNC(=O)C[NH+]2CCN(CC2)C3=NC=CC(=C3)C#N

InChI

InChI=1S/C21H25N5O2/c1-17-3-2-4-19(13-17)28-12-7-24-21(27)16-25-8-10-26(11-9-25)20-14-18(15-22)5-6-23-20/h2-6,13-14H,7-12,16H2,1H3,(H,24,27)/p+1