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

Systemtic Name: N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl]-1-ethyl-pyrazole-4-carboxamide Openeye Name: N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl]-1-ethyl-pyrazole-4-carboxamide CAS Name: N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridin-1-iumyl]methyl]-1-ethyl-4-pyrazolecarboxamide IUPAC Name: N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl]-1-ethylpyrazole-4-carboxamide Traditional Name: N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl]-1-ethyl-pyrazole-4-carboxamide Formula: C21H24N5O+ MolecularWeight: 362.44816

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C(=O)NCC2=C([NH+]=CC=C2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCN1C=C(C=N1)C(=O)NCC2=C([NH+]=CC=C2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H23N5O/c1-2-26-15-19(13-24-26)21(27)23-12-17-8-5-10-22-20(17)25-11-9-16-6-3-4-7-18(16)14-25/h3-8,10,13,15H,2,9,11-12,14H2,1H3,(H,23,27)/p+1