1-[(3S)-3-methylpiperidin-1-yl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-[(3S)-3-methylpiperidin-1-yl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-[(3S)-3-methyl-1-piperidyl]-2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]ethanone CAS Name: 1-[(3S)-3-methyl-1-piperidinyl]-2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[(3S)-3-methylpiperidin-1-yl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]ethanone Traditional Name: 1-[(3S)-3-methylpiperidino]-2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]ethanone Formula: C20H30N3O3S+ MolecularWeight: 392.5355

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C20H29N3O3S/c1-18-6-5-10-22(16-18)20(24)17-21-11-13-23(14-12-21)27(25,26)15-9-19-7-3-2-4-8-19/h2-4,7-9,15,18H,5-6,10-14,16-17H2,1H3/p+1/b15-9+/t18-/m0/s1