1-methyl-4-[3-(3-nitrophenoxy)propyl]piperazin-1-ium

Systemtic Name: 1-methyl-4-[3-(3-nitrophenoxy)propyl]piperazin-1-ium Openeye Name: 1-methyl-4-[3-(3-nitrophenoxy)propyl]piperazin-1-ium CAS Name: 1-methyl-4-[3-(3-nitrophenoxy)propyl]piperazin-1-ium IUPAC Name: 1-methyl-4-[3-(3-nitrophenoxy)propyl]piperazin-1-ium Traditional Name: 1-methyl-4-[3-(3-nitrophenoxy)propyl]piperazin-1-ium Formula: C14H22N3O3+ MolecularWeight: 280.34278

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CCCOC2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)CCCOC2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H21N3O3/c1-15-7-9-16(10-8-15)6-3-11-20-14-5-2-4-13(12-14)17(18)19/h2,4-5,12H,3,6-11H2,1H3/p+1