1-methyl-4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-ium

Systemtic Name: 1-methyl-4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-ium Openeye Name: 1-methyl-4-[4-nitro-3-(1-piperidyl)phenyl]piperazin-1-ium CAS Name: 1-methyl-4-[4-nitro-3-(1-piperidinyl)phenyl]piperazin-1-ium IUPAC Name: 1-methyl-4-(4-nitro-3-piperidin-1-ylphenyl)piperazin-1-ium Traditional Name: 1-methyl-4-(4-nitro-3-piperidino-phenyl)piperazin-1-ium Formula: C16H25N4O2+ MolecularWeight: 305.3953

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C16H24N4O2/c1-17-9-11-18(12-10-17)14-5-6-15(20(21)22)16(13-14)19-7-3-2-4-8-19/h5-6,13H,2-4,7-12H2,1H3/p+1