[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: [1-(2,5-dimethoxyphenyl)sulfonyl-4-piperidyl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [1-(2,5-dimethoxyphenyl)sulfonyl-4-piperidinyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: [1-(2,5-dimethoxyphenyl)sulfonyl-4-piperidyl]-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C20H32N3O5S+ MolecularWeight: 426.55018

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C20H31N3O5S/c1-4-21-11-13-22(14-12-21)20(24)16-7-9-23(10-8-16)29(25,26)19-15-17(27-2)5-6-18(19)28-3/h5-6,15-16H,4,7-14H2,1-3H3/p+1