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

Systemtic Name: 4,5-dimethyl-2-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]phenol Openeye Name: 4,5-dimethyl-2-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]phenol CAS Name: 4,5-dimethyl-2-[[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 4,5-dimethyl-2-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]phenol Traditional Name: 4,5-dimethyl-2-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]phenol Formula: C21H27N2O3S+ MolecularWeight: 387.51568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S/c1-17-14-20(21(24)15-18(17)2)16-22-9-11-23(12-10-22)27(25,26)13-8-19-6-4-3-5-7-19/h3-8,13-15,24H,9-12,16H2,1-2H3/p+1/b13-8+