(3R)-N-tert-butyl-2-(3-nitropyridin-1-ium-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3R)-N-tert-butyl-2-(3-nitropyridin-1-ium-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3R)-N-tert-butyl-2-(3-nitropyridin-1-ium-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3R)-N-tert-butyl-2-(3-nitro-2-pyridin-1-iumyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-N-tert-butyl-2-(3-nitropyridin-1-ium-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3R)-N-tert-butyl-2-(3-nitropyridin-1-ium-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C19H23N4O3+ MolecularWeight: 355.41092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1CC2=CC=CC=C2CN1C3=C(C=CC=[NH+]3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NC(=O)[C@H]1CC2=CC=CC=C2CN1C3=C(C=CC=[NH+]3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O3/c1-19(2,3)21-18(24)16-11-13-7-4-5-8-14(13)12-22(16)17-15(23(25)26)9-6-10-20-17/h4-10,16H,11-12H2,1-3H3,(H,21,24)/p+1/t16-/m1/s1