3-(2-oxidanidyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)pyridin-4-amine

Systemtic Name: 3-(2-oxidanidyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)pyridin-4-amine Openeye Name: 3-(2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)pyridin-4-amine CAS Name: 3-(2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)-4-pyridinamine IUPAC Name: 3-(2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)pyridin-4-amine Traditional Name: [3-(2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)-4-pyridyl]amine Formula: C14H15N3O MolecularWeight: 241.2884

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CC2=CC=CC=C21)(C3=C(C=CN=C3)N)[O-]

Isomeric SMILES

C1C[N+](CC2=CC=CC=C21)(C3=C(C=CN=C3)N)[O-]

InChI

InChI=1S/C14H15N3O/c15-13-5-7-16-9-14(13)17(18)8-6-11-3-1-2-4-12(11)10-17/h1-5,7,9H,6,8,10H2,(H2,15,16)