ethyl 4-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]piperidine-1-carboxylate CAS Name: 4-[4-(2-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C18H27N4O6S+ MolecularWeight: 427.49518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCC(CC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H26N4O6S/c1-2-28-18(23)20-9-7-15(8-10-20)19-11-13-21(14-12-19)29(26,27)17-6-4-3-5-16(17)22(24)25/h3-6,15H,2,7-14H2,1H3/p+1