2-[4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]quinoline

Systemtic Name: 2-[4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]quinoline Openeye Name: 2-[4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]quinoline CAS Name: 2-[4-[(4-nitrophenyl)methyl]-1-piperazin-4-iumyl]quinoline IUPAC Name: 2-[4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]quinoline Traditional Name: 2-[4-(4-nitrobenzyl)piperazin-4-ium-1-yl]quinoline Formula: C20H21N4O2+ MolecularWeight: 349.40634

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4C=C3

InChI

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