3-(4-butylnaphthalen-1-yl)propyl-methyl-(3-methylphenyl)azanium; methanesulfonate

Systemtic Name: 3-(4-butylnaphthalen-1-yl)propyl-methyl-(3-methylphenyl)azanium; methanesulfonate Openeye Name: 3-(4-butyl-1-naphthyl)propyl-methyl-(m-tolyl)ammonium; methanesulfonate CAS Name: 3-(4-butyl-1-naphthalenyl)propyl-methyl-(3-methylphenyl)ammonium; methanesulfonate IUPAC Name: 3-(4-butylnaphthalen-1-yl)propyl-methyl-(3-methylphenyl)azanium; methanesulfonate Traditional Name: 3-(4-butyl-1-naphthyl)propyl-methyl-(m-tolyl)ammonium mesylate Formula: C26H35NO3S MolecularWeight: 441.626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C2=CC=CC=C12)CCC[NH+](C)C3=CC=CC(=C3)C.CS(=O)(=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C2=CC=CC=C12)CCC[NH+](C)C3=CC=CC(=C3)C.CS(=O)(=O)[O-]

InChI

InChI=1S/C25H31N.CH4O3S/c1-4-5-11-21-16-17-22(25-15-7-6-14-24(21)25)12-9-18-26(3)23-13-8-10-20(2)19-23;1-5(2,3)4/h6-8,10,13-17,19H,4-5,9,11-12,18H2,1-3H3;1H3,(H,2,3,4)