N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl]-1H-imidazole-5-carboxamide

Systemtic Name: N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl]-1H-imidazole-5-carboxamide Openeye Name: N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl]-1H-imidazole-5-carboxamide CAS Name: N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridin-1-iumyl]methyl]-1H-imidazole-5-carboxamide IUPAC Name: N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl]-1H-imidazole-5-carboxamide Traditional Name: N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl]-1H-imidazole-5-carboxamide Formula: C19H20N5O+ MolecularWeight: 334.395

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C=CC=[NH+]3)CNC(=O)C4=CN=CN4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=CC=[NH+]3)CNC(=O)C4=CN=CN4

InChI

InChI=1S/C19H19N5O/c25-19(17-11-20-13-23-17)22-10-15-6-3-8-21-18(15)24-9-7-14-4-1-2-5-16(14)12-24/h1-6,8,11,13H,7,9-10,12H2,(H,20,23)(H,22,25)/p+1