1-[3-[4-(4-ethylpiperazin-4-ium-1-yl)carbonylpiperidin-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[3-[4-(4-ethylpiperazin-4-ium-1-yl)carbonylpiperidin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[3-[[4-(4-ethylpiperazin-4-ium-1-carbonyl)-1-piperidyl]sulfonyl]phenyl]ethanone CAS Name: 1-[3-[[4-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]-1-piperidinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[3-[4-(4-ethylpiperazin-4-ium-1-carbonyl)piperidin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[3-[4-(4-ethylpiperazin-4-ium-1-carbonyl)piperidino]sulfonylphenyl]ethanone Formula: C20H30N3O4S+ MolecularWeight: 408.5349

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O4S/c1-3-21-11-13-22(14-12-21)20(25)17-7-9-23(10-8-17)28(26,27)19-6-4-5-18(15-19)16(2)24/h4-6,15,17H,3,7-14H2,1-2H3/p+1