1-[4-(chloromethyl)-2-nitro-phenyl]-4-propyl-piperazin-4-ium

Systemtic Name: 1-[4-(chloromethyl)-2-nitro-phenyl]-4-propyl-piperazin-4-ium Openeye Name: 1-[4-(chloromethyl)-2-nitro-phenyl]-4-propyl-piperazin-4-ium CAS Name: 1-[4-(chloromethyl)-2-nitrophenyl]-4-propylpiperazin-4-ium IUPAC Name: 1-[4-(chloromethyl)-2-nitrophenyl]-4-propylpiperazin-4-ium Traditional Name: 1-[4-(chloromethyl)-2-nitro-phenyl]-4-propyl-piperazin-4-ium Formula: C14H21ClN3O2+ MolecularWeight: 298.78844

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C2=C(C=C(C=C2)CCl)[N+](=O)[O-]

Isomeric SMILES

CCC[NH+]1CCN(CC1)C2=C(C=C(C=C2)CCl)[N+](=O)[O-]

InChI

InChI=1S/C14H20ClN3O2/c1-2-5-16-6-8-17(9-7-16)13-4-3-12(11-15)10-14(13)18(19)20/h3-4,10H,2,5-9,11H2,1H3/p+1