1-(4-methyl-3-nitro-phenyl)sulfonyl-4-propyl-piperazin-4-ium

Systemtic Name: 1-(4-methyl-3-nitro-phenyl)sulfonyl-4-propyl-piperazin-4-ium Openeye Name: 1-(4-methyl-3-nitro-phenyl)sulfonyl-4-propyl-piperazin-4-ium CAS Name: 1-(4-methyl-3-nitrophenyl)sulfonyl-4-propylpiperazin-4-ium IUPAC Name: 1-(4-methyl-3-nitrophenyl)sulfonyl-4-propylpiperazin-4-ium Traditional Name: 1-(4-methyl-3-nitro-phenyl)sulfonyl-4-propyl-piperazin-4-ium Formula: C14H22N3O4S+ MolecularWeight: 328.40718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O4S/c1-3-6-15-7-9-16(10-8-15)22(20,21)13-5-4-12(2)14(11-13)17(18)19/h4-5,11H,3,6-10H2,1-2H3/p+1