8-nitro-5-(4-propylpiperazin-4-ium-1-yl)isoquinoline

Systemtic Name: 8-nitro-5-(4-propylpiperazin-4-ium-1-yl)isoquinoline Openeye Name: 8-nitro-5-(4-propylpiperazin-4-ium-1-yl)isoquinoline CAS Name: 8-nitro-5-(4-propyl-1-piperazin-4-iumyl)isoquinoline IUPAC Name: 8-nitro-5-(4-propylpiperazin-4-ium-1-yl)isoquinoline Traditional Name: 8-nitro-5-(4-propylpiperazin-4-ium-1-yl)isoquinoline Formula: C16H21N4O2+ MolecularWeight: 301.36354

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC[NH+]1CCN(CC1)C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O2/c1-2-7-18-8-10-19(11-9-18)15-3-4-16(20(21)22)14-12-17-6-5-13(14)15/h3-6,12H,2,7-11H2,1H3/p+1