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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=N4

InChI

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