2-[2-[(4-cyanophenyl)amino]-1-pyrimidin-4-yl-piperidin-1-ium-1-yl]ethanamide

Systemtic Name: 2-[2-[(4-cyanophenyl)amino]-1-pyrimidin-4-yl-piperidin-1-ium-1-yl]ethanamide Openeye Name: 2-[2-(4-cyanoanilino)-1-pyrimidin-4-yl-piperidin-1-ium-1-yl]acetamide CAS Name: 2-[2-(4-cyanoanilino)-1-(4-pyrimidinyl)-1-piperidin-1-iumyl]acetamide IUPAC Name: 2-[2-(4-cyanoanilino)-1-pyrimidin-4-ylpiperidin-1-ium-1-yl]acetamide Traditional Name: 2-[2-(4-cyanoanilino)-1-(4-pyrimidyl)piperidin-1-ium-1-yl]acetamide Formula: C18H21N6O+ MolecularWeight: 337.39894

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](C(C1)NC2=CC=C(C=C2)C#N)(CC(=O)N)C3=NC=NC=C3

Isomeric SMILES

C1CC[N+](C(C1)NC2=CC=C(C=C2)C#N)(CC(=O)N)C3=NC=NC=C3

InChI

InChI=1S/C18H20N6O/c19-11-14-4-6-15(7-5-14)23-18-3-1-2-10-24(18,12-16(20)25)17-8-9-21-13-22-17/h4-9,13,18,23H,1-3,10,12H2,(H-,20,25)/p+1