1-[(5-chloranyl-1-methyl-imidazol-2-yl)methyl]-4-[(E)-2-phenylethenyl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(5-chloranyl-1-methyl-imidazol-2-yl)methyl]-4-[(E)-2-phenylethenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-[(5-chloro-1-methyl-imidazol-2-yl)methyl]-4-[(E)-styryl]sulfonyl-piperazin-1-ium CAS Name: 1-[(5-chloro-1-methyl-2-imidazolyl)methyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-[(5-chloro-1-methylimidazol-2-yl)methyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium Traditional Name: 1-[(5-chloro-1-methyl-imidazol-2-yl)methyl]-4-[(E)-styryl]sulfonyl-piperazin-1-ium Formula: C17H22ClN4O2S+ MolecularWeight: 381.90018

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1C[NH+]2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3)Cl

Isomeric SMILES

CN1C(=CN=C1C[NH+]2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3)Cl

InChI

InChI=1S/C17H21ClN4O2S/c1-20-16(18)13-19-17(20)14-21-8-10-22(11-9-21)25(23,24)12-7-15-5-3-2-4-6-15/h2-7,12-13H,8-11,14H2,1H3/p+1/b12-7+