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

Systemtic Name: ethyl 4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]piperidine-1-carboxylate CAS Name: 4-[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C19H30N3O5S+ MolecularWeight: 412.5236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O5S/c1-3-27-19(23)21-10-8-16(9-11-21)20-12-14-22(15-13-20)28(24,25)18-6-4-17(26-2)5-7-18/h4-7,16H,3,8-15H2,1-2H3/p+1