2-methoxy-4-methyl-6-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]phenol

Systemtic Name: 2-methoxy-4-methyl-6-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]phenol Openeye Name: 2-methoxy-4-methyl-6-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]phenol CAS Name: 2-methoxy-4-methyl-6-[[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 2-methoxy-4-methyl-6-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]phenol Traditional Name: 2-methoxy-4-methyl-6-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]phenol Formula: C21H27N2O4S+ MolecularWeight: 403.51508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OC)O)C[NH+]2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C(=C1)OC)O)C[NH+]2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H26N2O4S/c1-17-14-19(21(24)20(15-17)27-2)16-22-9-11-23(12-10-22)28(25,26)13-8-18-6-4-3-5-7-18/h3-8,13-15,24H,9-12,16H2,1-2H3/p+1/b13-8+