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

Systemtic Name: 1-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]ethanone CAS Name: 1-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]ethanone Traditional Name: 1-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]ethanone Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C23H31N3O3S/c1-18(2)26-19(3)16-22(20(26)4)23(27)17-24-11-13-25(14-12-24)30(28,29)15-10-21-8-6-5-7-9-21/h5-10,15-16,18H,11-14,17H2,1-4H3/p+1/b15-10+