butyl-(phenylmethyl)azanium; 1-oxidanylnaphthalene-2-sulfonate

Systemtic Name: butyl-(phenylmethyl)azanium; 1-oxidanylnaphthalene-2-sulfonate Openeye Name: benzyl(butyl)ammonium; 1-hydroxynaphthalene-2-sulfonate CAS Name: butyl-(phenylmethyl)ammonium; 1-hydroxy-2-naphthalenesulfonate IUPAC Name: benzyl(butyl)azanium; 1-hydroxynaphthalene-2-sulfonate Traditional Name: benzyl(butyl)ammonium; 1-hydroxynaphthalene-2-sulfonate Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH2+]CC1=CC=CC=C1.C1=CC=C2C(=C1)C=CC(=C2O)S(=O)(=O)[O-]

Isomeric SMILES

CCCC[NH2+]CC1=CC=CC=C1.C1=CC=C2C(=C1)C=CC(=C2O)S(=O)(=O)[O-]

InChI

InChI=1S/C11H17N.C10H8O4S/c1-2-3-9-12-10-11-7-5-4-6-8-11;11-10-8-4-2-1-3-7(8)5-6-9(10)15(12,13)14/h4-8,12H,2-3,9-10H2,1H3;1-6,11H,(H,12,13,14)