(8-methoxy-3,6-disulfo-naphthalen-1-yl)-trimethyl-azanium

Systemtic Name: (8-methoxy-3,6-disulfo-naphthalen-1-yl)-trimethyl-azanium Openeye Name: (8-methoxy-3,6-disulfo-1-naphthyl)-trimethyl-ammonium CAS Name: (8-methoxy-3,6-disulfo-1-naphthalenyl)-trimethylammonium IUPAC Name: (8-methoxy-3,6-disulfonaphthalen-1-yl)-trimethylazanium Traditional Name: (8-methoxy-3,6-disulfo-1-naphthyl)-trimethyl-ammonium Formula: C14H18NO7S2+ MolecularWeight: 376.42522

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C1=C2C(=CC(=C1)S(=O)(=O)O)C=C(C=C2OC)S(=O)(=O)O

Isomeric SMILES

C[N+](C)(C)C1=C2C(=CC(=C1)S(=O)(=O)O)C=C(C=C2OC)S(=O)(=O)O

InChI

InChI=1S/C14H17NO7S2/c1-15(2,3)12-7-10(23(16,17)18)5-9-6-11(24(19,20)21)8-13(22-4)14(9)12/h5-8H,1-4H3,(H-,16,17,18,19,20,21)/p+1