8-nitro-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]isoquinoline

Systemtic Name: 8-nitro-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]isoquinoline Openeye Name: 5-(4-benzylpiperazin-4-ium-1-yl)-8-nitro-isoquinoline CAS Name: 8-nitro-5-[4-(phenylmethyl)-1-piperazin-4-iumyl]isoquinoline IUPAC Name: 5-(4-benzylpiperazin-4-ium-1-yl)-8-nitroisoquinoline Traditional Name: 5-(4-benzylpiperazin-4-ium-1-yl)-8-nitro-isoquinoline Formula: C20H21N4O2+ MolecularWeight: 349.40634

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O2/c25-24(26)20-7-6-19(17-8-9-21-14-18(17)20)23-12-10-22(11-13-23)15-16-4-2-1-3-5-16/h1-9,14H,10-13,15H2/p+1