4-[2-[[6-methoxy-1-(phenylmethyl)quinolin-1-ium-2-yl]methylidene]-1,3-benzoselenazol-3-yl]butane-1-sulfonate

Systemtic Name: 4-[2-[[6-methoxy-1-(phenylmethyl)quinolin-1-ium-2-yl]methylidene]-1,3-benzoselenazol-3-yl]butane-1-sulfonate Openeye Name: 4-[2-[(1-benzyl-6-methoxy-quinolin-1-ium-2-yl)methylene]-1,3-benzoselenazol-3-yl]butane-1-sulfonate CAS Name: 4-[2-[[6-methoxy-1-(phenylmethyl)-2-quinolin-1-iumyl]methylidene]-1,3-benzoselenazol-3-yl]-1-butanesulfonate IUPAC Name: 4-[2-[(1-benzyl-6-methoxyquinolin-1-ium-2-yl)methylidene]-1,3-benzoselenazol-3-yl]butane-1-sulfonate Traditional Name: 4-[2-[(1-benzyl-6-methoxy-quinolin-1-ium-2-yl)methylene]-1,3-benzoselenazol-3-yl]butane-1-sulfonate Formula: C29H28N2O4SSe MolecularWeight: 579.56862

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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)CCCCS(=O)(=O)[O-])CC5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C29H28N2O4SSe/c1-35-25-15-16-26-23(19-25)13-14-24(31(26)21-22-9-3-2-4-10-22)20-29-30(17-7-8-18-36(32,33)34)27-11-5-6-12-28(27)37-29/h2-6,9-16,19-20H,7-8,17-18,21H2,1H3