3,4-dihydro-1H-isoquinolin-2-yl-(1-methylpyridin-1-ium-4-yl)methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-(1-methylpyridin-1-ium-4-yl)methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-(1-methylpyridin-1-ium-4-yl)methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-(1-methyl-4-pyridin-1-iumyl)methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-(1-methylpyridin-1-ium-4-yl)methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-(1-methylpyridin-1-ium-4-yl)methanone Formula: C16H17N2O+ MolecularWeight: 253.31898

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

C[N+]1=CC=C(C=C1)C(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C16H17N2O/c1-17-9-6-14(7-10-17)16(19)18-11-8-13-4-2-3-5-15(13)12-18/h2-7,9-10H,8,11-12H2,1H3/q+1