2-[4-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 1-pyrrolidin-1-yl-2-[4-[1-[(E)-styryl]sulfonylpiperidine-4-carbonyl]piperazin-1-ium-1-yl]ethanone CAS Name: 2-[4-[oxo-[1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinyl]methyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 1-pyrrolidino-2-[4-[1-[(E)-styryl]sulfonylisonipecotoyl]piperazin-1-ium-1-yl]ethanone Formula: C24H35N4O4S+ MolecularWeight: 475.6241

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3CCN(CC3)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3CCN(CC3)S(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C24H34N4O4S/c29-23(26-11-4-5-12-26)20-25-15-17-27(18-16-25)24(30)22-8-13-28(14-9-22)33(31,32)19-10-21-6-2-1-3-7-21/h1-3,6-7,10,19,22H,4-5,8-9,11-18,20H2/p+1/b19-10+