5-methyl-2-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-4-propan-2-yl-phenol

Systemtic Name: 5-methyl-2-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-4-propan-2-yl-phenol Openeye Name: 4-isopropyl-5-methyl-2-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]phenol CAS Name: 5-methyl-2-[[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]methyl]-4-propan-2-ylphenol IUPAC Name: 5-methyl-2-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-4-propan-2-ylphenol Traditional Name: 4-isopropyl-5-methyl-2-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]phenol Formula: C23H31N2O3S+ MolecularWeight: 415.56884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(C)C)C[NH+]2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3)O

Isomeric SMILES

CC1=CC(=C(C=C1C(C)C)C[NH+]2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3)O

InChI

InChI=1S/C23H30N2O3S/c1-18(2)22-16-21(23(26)15-19(22)3)17-24-10-12-25(13-11-24)29(27,28)14-9-20-7-5-4-6-8-20/h4-9,14-16,18,26H,10-13,17H2,1-3H3/p+1/b14-9+