4-[(2-chloranyl-4-pentoxy-phenyl)methyl]-1-methyl-N-[(E)-2-phenylethenyl]sulfonyl-1H-imidazol-1-ium-2-carboxamide chloride

Systemtic Name: 4-[(2-chloranyl-4-pentoxy-phenyl)methyl]-1-methyl-N-[(E)-2-phenylethenyl]sulfonyl-1H-imidazol-1-ium-2-carboxamide chloride Openeye Name: 4-[(2-chloro-4-pentoxy-phenyl)methyl]-1-methyl-N-[(E)-styryl]sulfonyl-1H-imidazol-1-ium-2-carboxamide chloride CAS Name: 4-[(2-chloro-4-pentoxyphenyl)methyl]-1-methyl-N-[(E)-2-phenylethenyl]sulfonyl-1H-imidazol-1-ium-2-carboxamide chloride IUPAC Name: 4-[(2-chloro-4-pentoxyphenyl)methyl]-1-methyl-N-[(E)-2-phenylethenyl]sulfonyl-1H-imidazol-1-ium-2-carboxamide chloride Traditional Name: 4-(4-amoxy-2-chloro-benzyl)-1-methyl-N-[(E)-styryl]sulfonyl-1H-imidazol-1-ium-2-carboxamide chloride Formula: C25H29Cl2N3O4S MolecularWeight: 538.48646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC(=C(C=C1)CC2=C[NH+](C(=N2)C(=O)NS(=O)(=O)C=CC3=CC=CC=C3)C)Cl.[Cl-]

Isomeric SMILES

CCCCCOC1=CC(=C(C=C1)CC2=C[NH+](C(=N2)C(=O)NS(=O)(=O)/C=C/C3=CC=CC=C3)C)Cl.[Cl-]

InChI

InChI=1S/C25H28ClN3O4S.ClH/c1-3-4-8-14-33-22-12-11-20(23(26)17-22)16-21-18-29(2)24(27-21)25(30)28-34(31,32)15-13-19-9-6-5-7-10-19;/h5-7,9-13,15,17-18H,3-4,8,14,16H2,1-2H3,(H,28,30);1H/b15-13+;