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

Systemtic Name: (1-pyridin-1-ium-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)-thiophen-2-yl-methanone Openeye Name: (1-pyridin-1-ium-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(2-thienyl)methanone CAS Name: [1-(4-pyridin-1-iumyl)-3,4-dihydro-1H-isoquinolin-2-yl]-thiophen-2-ylmethanone IUPAC Name: (1-pyridin-1-ium-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)-thiophen-2-ylmethanone Traditional Name: (1-pyridin-1-ium-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(2-thienyl)methanone Formula: C19H17N2OS+ MolecularWeight: 321.41608

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)C3=CC=[NH+]C=C3)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)C3=CC=[NH+]C=C3)C(=O)C4=CC=CS4

InChI

InChI=1S/C19H16N2OS/c22-19(17-6-3-13-23-17)21-12-9-14-4-1-2-5-16(14)18(21)15-7-10-20-11-8-15/h1-8,10-11,13,18H,9,12H2/p+1