4-[4-(3-nitrophenyl)piperazin-1-ium-1-yl]butylazanium

Systemtic Name: 4-[4-(3-nitrophenyl)piperazin-1-ium-1-yl]butylazanium Openeye Name: 4-[4-(3-nitrophenyl)piperazin-1-ium-1-yl]butylammonium CAS Name: 4-[4-(3-nitrophenyl)-1-piperazin-1-iumyl]butylammonium IUPAC Name: 4-[4-(3-nitrophenyl)piperazin-1-ium-1-yl]butylazanium Traditional Name: 4-[4-(3-nitrophenyl)piperazin-1-ium-1-yl]butylammonium Formula: C14H24N4O2+2 MolecularWeight: 280.36596

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCC[NH3+])C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCCC[NH3+])C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H22N4O2/c15-6-1-2-7-16-8-10-17(11-9-16)13-4-3-5-14(12-13)18(19)20/h3-5,12H,1-2,6-11,15H2/p+2