1-[2-(3-methylphenoxy)ethyl]-4-[(E)-2-phenylethenyl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-[2-(3-methylphenoxy)ethyl]-4-[(E)-2-phenylethenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-[2-(3-methylphenoxy)ethyl]-4-[(E)-styryl]sulfonyl-piperazin-1-ium CAS Name: 1-[2-(3-methylphenoxy)ethyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-[2-(3-methylphenoxy)ethyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium Traditional Name: 1-[2-(3-methylphenoxy)ethyl]-4-[(E)-styryl]sulfonyl-piperazin-1-ium Formula: C21H27N2O3S+ MolecularWeight: 387.51568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S/c1-19-6-5-9-21(18-19)26-16-15-22-11-13-23(14-12-22)27(24,25)17-10-20-7-3-2-4-8-20/h2-10,17-18H,11-16H2,1H3/p+1/b17-10+