1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]ethanone CAS Name: 1-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]ethanone Traditional Name: 1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]ethanone Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3)C

InChI

InChI=1S/C22H29N3O3S/c1-4-25-18(2)16-21(19(25)3)22(26)17-23-11-13-24(14-12-23)29(27,28)15-10-20-8-6-5-7-9-20/h5-10,15-16H,4,11-14,17H2,1-3H3/p+1/b15-10+