N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazine-2-carboxamide

Systemtic Name: N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazine-2-carboxamide Openeye Name: N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazine-2-carboxamide CAS Name: N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]-2-pyrazinecarboxamide IUPAC Name: N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazine-2-carboxamide Traditional Name: N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]pyrazinamide Formula: C18H23N4O+ MolecularWeight: 311.40142

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)C3=NC=CN=C3

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)C3=NC=CN=C3

InChI

InChI=1S/C18H22N4O/c23-18(17-13-19-8-9-20-17)21-12-15-6-2-3-7-16(15)14-22-10-4-1-5-11-22/h2-3,6-9,13H,1,4-5,10-12,14H2,(H,21,23)/p+1