1-[(2S)-2-ethylpiperidin-1-yl]-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-[(2S)-2-ethylpiperidin-1-yl]-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-[(2S)-2-ethyl-1-piperidyl]-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone CAS Name: 1-[(2S)-2-ethyl-1-piperidinyl]-2-[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[(2S)-2-ethylpiperidin-1-yl]-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Traditional Name: 1-[(2S)-2-ethylpiperidino]-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Formula: C20H32N3O4S+ MolecularWeight: 410.55078

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC[C@H]1CCCCN1C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H31N3O4S/c1-3-17-6-4-5-11-23(17)20(24)16-21-12-14-22(15-13-21)28(25,26)19-9-7-18(27-2)8-10-19/h7-10,17H,3-6,11-16H2,1-2H3/p+1/t17-/m0/s1