N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl]pyrazine-2-carboxamide

Systemtic Name: N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl]pyrazine-2-carboxamide Openeye Name: N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl]pyrazine-2-carboxamide CAS Name: N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridin-1-iumyl]methyl]-2-pyrazinecarboxamide IUPAC Name: N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl]pyrazine-2-carboxamide Traditional Name: N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl]pyrazinamide Formula: C20H20N5O+ MolecularWeight: 346.4057

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C=CC=[NH+]3)CNC(=O)C4=NC=CN=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=CC=[NH+]3)CNC(=O)C4=NC=CN=C4

InChI

InChI=1S/C20H19N5O/c26-20(18-13-21-9-10-22-18)24-12-16-6-3-8-23-19(16)25-11-7-15-4-1-2-5-17(15)14-25/h1-6,8-10,13H,7,11-12,14H2,(H,24,26)/p+1