2-azanylnaphthalene-1-sulfonate; (phenylmethyl)-tripropyl-azanium

Systemtic Name: 2-azanylnaphthalene-1-sulfonate; (phenylmethyl)-tripropyl-azanium Openeye Name: 2-aminonaphthalene-1-sulfonate; benzyl(tripropyl)ammonium CAS Name: 2-amino-1-naphthalenesulfonate; (phenylmethyl)-tripropylammonium IUPAC Name: 2-aminonaphthalene-1-sulfonate; benzyl(tripropyl)azanium Traditional Name: 2-aminonaphthalene-1-sulfonate; benzyl(tripropyl)ammonium Formula: C26H36N2O3S MolecularWeight: 456.64064

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](CCC)(CCC)CC1=CC=CC=C1.C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)[O-])N

Isomeric SMILES

CCC[N+](CCC)(CCC)CC1=CC=CC=C1.C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)[O-])N

InChI

InChI=1S/C16H28N.C10H9NO3S/c1-4-12-17(13-5-2,14-6-3)15-16-10-8-7-9-11-16;11-9-6-5-7-3-1-2-4-8(7)10(9)15(12,13)14/h7-11H,4-6,12-15H2,1-3H3;1-6H,11H2,(H,12,13,14)/q+1;/p-1