3-[(2Z)-2-[[6-methoxy-1-(phenylmethyl)quinolin-1-ium-2-yl]methylidene]-1,3-benzoselenazol-3-yl]propane-1-sulfonate

Systemtic Name: 3-[(2Z)-2-[[6-methoxy-1-(phenylmethyl)quinolin-1-ium-2-yl]methylidene]-1,3-benzoselenazol-3-yl]propane-1-sulfonate Openeye Name: 3-[(2Z)-2-[(1-benzyl-6-methoxy-quinolin-1-ium-2-yl)methylene]-1,3-benzoselenazol-3-yl]propane-1-sulfonate CAS Name: 3-[(2Z)-2-[[6-methoxy-1-(phenylmethyl)-2-quinolin-1-iumyl]methylidene]-1,3-benzoselenazol-3-yl]-1-propanesulfonate IUPAC Name: 3-[(2Z)-2-[(1-benzyl-6-methoxyquinolin-1-ium-2-yl)methylidene]-1,3-benzoselenazol-3-yl]propane-1-sulfonate Traditional Name: 3-[(2Z)-2-[(1-benzyl-6-methoxy-quinolin-1-ium-2-yl)methylene]-1,3-benzoselenazol-3-yl]propane-1-sulfonate Formula: C28H26N2O4SSe MolecularWeight: 565.54204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)[N+](=C(C=C2)C=C3N(C4=CC=CC=C4[Se]3)CCCS(=O)(=O)[O-])CC5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)[N+](=C(C=C2)/C=C\3/N(C4=CC=CC=C4[Se]3)CCCS(=O)(=O)[O-])CC5=CC=CC=C5

InChI

InChI=1S/C28H26N2O4SSe/c1-34-24-14-15-25-22(18-24)12-13-23(30(25)20-21-8-3-2-4-9-21)19-28-29(16-7-17-35(31,32)33)26-10-5-6-11-27(26)36-28/h2-6,8-15,18-19H,7,16-17,20H2,1H3