2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-(3,4-diethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-1-piperidino-ethanone Formula: C21H34N3O5S+ MolecularWeight: 440.57676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N3CCCCC3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N3CCCCC3)OCC

InChI

InChI=1S/C21H33N3O5S/c1-3-28-19-9-8-18(16-20(19)29-4-2)30(26,27)24-14-12-22(13-15-24)17-21(25)23-10-6-5-7-11-23/h8-9,16H,3-7,10-15,17H2,1-2H3/p+1