1-[(2-methoxy-5-methyl-phenyl)methyl]-4-[(E)-2-phenylethenyl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(2-methoxy-5-methyl-phenyl)methyl]-4-[(E)-2-phenylethenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-[(2-methoxy-5-methyl-phenyl)methyl]-4-[(E)-styryl]sulfonyl-piperazin-1-ium CAS Name: 1-[(2-methoxy-5-methylphenyl)methyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-[(2-methoxy-5-methylphenyl)methyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium Traditional Name: 1-(2-methoxy-5-methyl-benzyl)-4-[(E)-styryl]sulfonyl-piperazin-1-ium Formula: C21H27N2O3S+ MolecularWeight: 387.51568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S/c1-18-8-9-21(26-2)20(16-18)17-22-11-13-23(14-12-22)27(24,25)15-10-19-6-4-3-5-7-19/h3-10,15-16H,11-14,17H2,1-2H3/p+1/b15-10+