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

Systemtic Name: 2-(3-nitropyridin-1-ium-2-yl)-3,4-dihydro-1H-isoquinoline Openeye Name: 2-(3-nitropyridin-1-ium-2-yl)-3,4-dihydro-1H-isoquinoline CAS Name: 2-(3-nitro-2-pyridin-1-iumyl)-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-(3-nitropyridin-1-ium-2-yl)-3,4-dihydro-1H-isoquinoline Traditional Name: 2-(3-nitropyridin-1-ium-2-yl)-3,4-dihydro-1H-isoquinoline Formula: C14H14N3O2+ MolecularWeight: 256.27986

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O2/c18-17(19)13-6-3-8-15-14(13)16-9-7-11-4-1-2-5-12(11)10-16/h1-6,8H,7,9-10H2/p+1