1-(azocan-1-yl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(azocan-1-yl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-(azocan-1-yl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]ethanone CAS Name: 1-(1-azocanyl)-2-[4-(2-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(azocan-1-yl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Traditional Name: 1-(azocan-1-yl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Formula: C19H29N4O5S+ MolecularWeight: 425.52236

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CCC1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H28N4O5S/c24-19(21-10-6-2-1-3-7-11-21)16-20-12-14-22(15-13-20)29(27,28)18-9-5-4-8-17(18)23(25)26/h4-5,8-9H,1-3,6-7,10-16H2/p+1