2-[4-(5-cyanopyridin-2-yl)piperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-(5-cyanopyridin-2-yl)piperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(5-cyano-2-pyridyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(5-cyano-2-pyridinyl)-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(5-cyanopyridin-2-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-(5-cyano-2-pyridyl)piperazin-1-ium-1-yl]acetamide Formula: C19H22N5O+ MolecularWeight: 336.41088

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)C3=NC=C(C=C3)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)C3=NC=C(C=C3)C#N

InChI

InChI=1S/C19H21N5O/c20-12-17-6-7-18(21-14-17)24-10-8-23(9-11-24)15-19(25)22-13-16-4-2-1-3-5-16/h1-7,14H,8-11,13,15H2,(H,22,25)/p+1