(4-methylphenyl)methanesulfonate; tributyl-(N,N,N'-tributylcarbamimidoyl)azanium

Systemtic Name: (4-methylphenyl)methanesulfonate; tributyl-(N,N,N'-tributylcarbamimidoyl)azanium Openeye Name: p-tolylmethanesulfonate; tributyl-(N,N,N'-tributylcarbamimidoyl)ammonium CAS Name: (4-methylphenyl)methanesulfonate; tributyl-[butylimino-(dibutylamino)methyl]ammonium IUPAC Name: (4-methylphenyl)methanesulfonate; tributyl-(N,N,N'-tributylcarbamimidoyl)azanium Traditional Name: p-tolylmethanesulfonate; tributyl-(N,N,N'-tributylamidino)ammonium Formula: C33H63N3O3S MolecularWeight: 581.93662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN=C(N(CCCC)CCCC)[N+](CCCC)(CCCC)CCCC.CC1=CC=C(C=C1)CS(=O)(=O)[O-]

Isomeric SMILES

CCCCN=C(N(CCCC)CCCC)[N+](CCCC)(CCCC)CCCC.CC1=CC=C(C=C1)CS(=O)(=O)[O-]

InChI

InChI=1S/C25H54N3.C8H10O3S/c1-7-13-19-26-25(27(20-14-8-2)21-15-9-3)28(22-16-10-4,23-17-11-5)24-18-12-6;1-7-2-4-8(5-3-7)6-12(9,10)11/h7-24H2,1-6H3;2-5H,6H2,1H3,(H,9,10,11)/q+1;/p-1