8-azanylnaphthalene-2-sulfonate; dimethyl-octyl-(phenylmethyl)azanium

Systemtic Name: 8-azanylnaphthalene-2-sulfonate; dimethyl-octyl-(phenylmethyl)azanium Openeye Name: 8-aminonaphthalene-2-sulfonate; benzyl-dimethyl-octyl-ammonium CAS Name: 8-amino-2-naphthalenesulfonate; dimethyl-octyl-(phenylmethyl)ammonium IUPAC Name: 8-aminonaphthalene-2-sulfonate; benzyl-dimethyl-octylazanium Traditional Name: 8-aminonaphthalene-2-sulfonate; benzyl-dimethyl-octyl-ammonium Formula: C27H38N2O3S MolecularWeight: 470.66722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+](C)(C)CC1=CC=CC=C1.C1=CC2=C(C=C(C=C2)S(=O)(=O)[O-])C(=C1)N

Isomeric SMILES

CCCCCCCC[N+](C)(C)CC1=CC=CC=C1.C1=CC2=C(C=C(C=C2)S(=O)(=O)[O-])C(=C1)N

InChI

InChI=1S/C17H30N.C10H9NO3S/c1-4-5-6-7-8-12-15-18(2,3)16-17-13-10-9-11-14-17;11-10-3-1-2-7-4-5-8(6-9(7)10)15(12,13)14/h9-11,13-14H,4-8,12,15-16H2,1-3H3;1-6H,11H2,(H,12,13,14)/q+1;/p-1