8-nitro-5-piperazin-4-ium-1-yl-isoquinoline

Systemtic Name: 8-nitro-5-piperazin-4-ium-1-yl-isoquinoline Openeye Name: 8-nitro-5-piperazin-4-ium-1-yl-isoquinoline CAS Name: 8-nitro-5-(1-piperazin-4-iumyl)isoquinoline IUPAC Name: 8-nitro-5-piperazin-4-ium-1-ylisoquinoline Traditional Name: 8-nitro-5-piperazin-4-ium-1-yl-isoquinoline Formula: C13H15N4O2+ MolecularWeight: 259.2838

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH2+]1)C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O2/c18-17(19)13-2-1-12(16-7-5-14-6-8-16)10-3-4-15-9-11(10)13/h1-4,9,14H,5-8H2/p+1