diethyl-[[2-[2-(naphthalen-2-ylcarbonylamino)ethyl]phenyl]methyl]azanium; 4-methylbenzenesulfonate

Systemtic Name: diethyl-[[2-[2-(naphthalen-2-ylcarbonylamino)ethyl]phenyl]methyl]azanium; 4-methylbenzenesulfonate Openeye Name: diethyl-[[2-[2-(naphthalene-2-carbonylamino)ethyl]phenyl]methyl]ammonium; 4-methylbenzenesulfonate CAS Name: diethyl-[[2-[2-[[2-naphthalenyl(oxo)methyl]amino]ethyl]phenyl]methyl]ammonium; 4-methylbenzenesulfonate IUPAC Name: diethyl-[[2-[2-(naphthalene-2-carbonylamino)ethyl]phenyl]methyl]azanium; 4-methylbenzenesulfonate Traditional Name: diethyl-[2-[2-(2-naphthoylamino)ethyl]benzyl]ammonium tosylate Formula: C31H36N2O4S MolecularWeight: 532.69354

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=CC=C1CCNC(=O)C2=CC3=CC=CC=C3C=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC[NH+](CC)CC1=CC=CC=C1CCNC(=O)C2=CC3=CC=CC=C3C=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C24H28N2O.C7H8O3S/c1-3-26(4-2)18-23-12-8-6-10-20(23)15-16-25-24(27)22-14-13-19-9-5-7-11-21(19)17-22;1-6-2-4-7(5-3-6)11(8,9)10/h5-14,17H,3-4,15-16,18H2,1-2H3,(H,25,27);2-5H,1H3,(H,8,9,10)