1-(4-methoxy-3-methyl-phenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium

Systemtic Name: 1-(4-methoxy-3-methyl-phenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium Openeye Name: 1-[(E)-cinnamyl]-4-(4-methoxy-3-methyl-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(4-methoxy-3-methylphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium IUPAC Name: 1-(4-methoxy-3-methylphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium Traditional Name: 1-[(E)-cinnamyl]-4-(4-methoxy-3-methyl-phenyl)sulfonyl-piperazin-1-ium Formula: C21H27N2O3S+ MolecularWeight: 387.51568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)CC=CC3=CC=CC=C3)OC

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3)OC

InChI

InChI=1S/C21H26N2O3S/c1-18-17-20(10-11-21(18)26-2)27(24,25)23-15-13-22(14-16-23)12-6-9-19-7-4-3-5-8-19/h3-11,17H,12-16H2,1-2H3/p+1/b9-6+