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

Systemtic Name: N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl]-1,3-thiazole-4-carboxamide Openeye Name: N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl]thiazole-4-carboxamide CAS Name: N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridin-1-iumyl]methyl]-4-thiazolecarboxamide IUPAC Name: N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl]-1,3-thiazole-4-carboxamide Traditional Name: N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl]thiazole-4-carboxamide Formula: C19H19N4OS+ MolecularWeight: 351.44536

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C=CC=[NH+]3)CNC(=O)C4=CSC=N4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=CC=[NH+]3)CNC(=O)C4=CSC=N4

InChI

InChI=1S/C19H18N4OS/c24-19(17-12-25-13-22-17)21-10-15-6-3-8-20-18(15)23-9-7-14-4-1-2-5-16(14)11-23/h1-6,8,12-13H,7,9-11H2,(H,21,24)/p+1