3-methoxy-4-pyrrolidin-1-yl-benzenediazonium; 2-sulfooxybenzoate

Systemtic Name: 3-methoxy-4-pyrrolidin-1-yl-benzenediazonium; 2-sulfooxybenzoate Openeye Name: 3-methoxy-4-pyrrolidin-1-yl-benzenediazonium; 2-sulfooxybenzoate CAS Name: 3-methoxy-4-(1-pyrrolidinyl)benzenediazonium; 2-sulfooxybenzoate IUPAC Name: 3-methoxy-4-pyrrolidin-1-ylbenzenediazonium; 2-sulfooxybenzoate Traditional Name: 3-methoxy-4-pyrrolidino-benzenediazonium; 2-sulfoxybenzoate Formula: C18H19N3O7S MolecularWeight: 421.42436

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+]#N)N2CCCC2.C1=CC=C(C(=C1)C(=O)[O-])OS(=O)(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)[N+]#N)N2CCCC2.C1=CC=C(C(=C1)C(=O)[O-])OS(=O)(=O)O

InChI

InChI=1S/C11H14N3O.C7H6O6S/c1-15-11-8-9(13-12)4-5-10(11)14-6-2-3-7-14;8-7(9)5-3-1-2-4-6(5)13-14(10,11)12/h4-5,8H,2-3,6-7H2,1H3;1-4H,(H,8,9)(H,10,11,12)/q+1;/p-1