2-[(2S)-2-methylpiperidin-1-ium-1-yl]-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[(2S)-2-methylpiperidin-1-ium-1-yl]-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-[(2S)-2-methylpiperidin-1-ium-1-yl]-1-[4-[(E)-styryl]sulfonylpiperazin-1-yl]ethanone CAS Name: 2-[(2S)-2-methyl-1-piperidin-1-iumyl]-1-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-[(2S)-2-methylpiperidin-1-ium-1-yl]-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-[(2S)-2-methylpiperidin-1-ium-1-yl]-1-[4-[(E)-styryl]sulfonylpiperazino]ethanone Formula: C20H30N3O3S+ MolecularWeight: 392.5355

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC(=O)N2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC(=O)N2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C20H29N3O3S/c1-18-7-5-6-11-22(18)17-20(24)21-12-14-23(15-13-21)27(25,26)16-10-19-8-3-2-4-9-19/h2-4,8-10,16,18H,5-7,11-15,17H2,1H3/p+1/b16-10+/t18-/m0/s1