6,7-diethoxy-2-(3-nitropyridin-1-ium-2-yl)-3,4-dihydro-1H-isoquinoline

Systemtic Name: 6,7-diethoxy-2-(3-nitropyridin-1-ium-2-yl)-3,4-dihydro-1H-isoquinoline Openeye Name: 6,7-diethoxy-2-(3-nitropyridin-1-ium-2-yl)-3,4-dihydro-1H-isoquinoline CAS Name: 6,7-diethoxy-2-(3-nitro-2-pyridin-1-iumyl)-3,4-dihydro-1H-isoquinoline IUPAC Name: 6,7-diethoxy-2-(3-nitropyridin-1-ium-2-yl)-3,4-dihydro-1H-isoquinoline Traditional Name: 6,7-diethoxy-2-(3-nitropyridin-1-ium-2-yl)-3,4-dihydro-1H-isoquinoline Formula: C18H22N3O4+ MolecularWeight: 344.38498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CN(CCC2=C1)C3=C(C=CC=[NH+]3)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C2CN(CCC2=C1)C3=C(C=CC=[NH+]3)[N+](=O)[O-])OCC

InChI

InChI=1S/C18H21N3O4/c1-3-24-16-10-13-7-9-20(12-14(13)11-17(16)25-4-2)18-15(21(22)23)6-5-8-19-18/h5-6,8,10-11H,3-4,7,9,12H2,1-2H3/p+1