1-hexyl-4-(4-nitrophenyl)piperazin-1-ium

Systemtic Name: 1-hexyl-4-(4-nitrophenyl)piperazin-1-ium Openeye Name: 1-hexyl-4-(4-nitrophenyl)piperazin-1-ium CAS Name: 1-hexyl-4-(4-nitrophenyl)piperazin-1-ium IUPAC Name: 1-hexyl-4-(4-nitrophenyl)piperazin-1-ium Traditional Name: 1-hexyl-4-(4-nitrophenyl)piperazin-1-ium Formula: C16H26N3O2+ MolecularWeight: 292.39654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[NH+]1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCC[NH+]1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H25N3O2/c1-2-3-4-5-10-17-11-13-18(14-12-17)15-6-8-16(9-7-15)19(20)21/h6-9H,2-5,10-14H2,1H3/p+1