8-nitro-5-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]isoquinoline

Systemtic Name: 8-nitro-5-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]isoquinoline Openeye Name: 8-nitro-5-[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]isoquinoline CAS Name: 8-nitro-5-[4-(2-pyridinylmethyl)-1-piperazin-4-iumyl]isoquinoline IUPAC Name: 8-nitro-5-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]isoquinoline Traditional Name: 8-nitro-5-[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]isoquinoline Formula: C19H20N5O2+ MolecularWeight: 350.3944

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=N2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=N2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O2/c25-24(26)19-5-4-18(16-6-8-20-13-17(16)19)23-11-9-22(10-12-23)14-15-3-1-2-7-21-15/h1-8,13H,9-12,14H2/p+1