dimethyl-(2-methyl-3,4-diphenyl-3-propanoyloxy-butyl)azanium; naphthalene-2-sulfonate

Systemtic Name: dimethyl-(2-methyl-3,4-diphenyl-3-propanoyloxy-butyl)azanium; naphthalene-2-sulfonate Openeye Name: dimethyl-(2-methyl-3,4-diphenyl-3-propanoyloxy-butyl)ammonium; naphthalene-2-sulfonate CAS Name: dimethyl-[2-methyl-3-(1-oxopropoxy)-3,4-diphenylbutyl]ammonium; 2-naphthalenesulfonate IUPAC Name: dimethyl-(2-methyl-3,4-diphenyl-3-propanoyloxybutyl)azanium; naphthalene-2-sulfonate Traditional Name: dimethyl-(2-methyl-3,4-diphenyl-3-propionyloxy-butyl)ammonium; naphthalene-2-sulfonate Formula: C32H37NO5S MolecularWeight: 547.70488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC(CC1=CC=CC=C1)(C2=CC=CC=C2)C(C)C[NH+](C)C.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCC(=O)OC(CC1=CC=CC=C1)(C2=CC=CC=C2)C(C)C[NH+](C)C.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C22H29NO2.C10H8O3S/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19;11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h6-15,18H,5,16-17H2,1-4H3;1-7H,(H,11,12,13)