(4-methylphenyl)methanesulfonate; triphenyl-(N,N,N'-triphenylcarbamimidoyl)azanium

Systemtic Name: (4-methylphenyl)methanesulfonate; triphenyl-(N,N,N'-triphenylcarbamimidoyl)azanium Openeye Name: p-tolylmethanesulfonate; triphenyl-(N,N,N'-triphenylcarbamimidoyl)ammonium CAS Name: (4-methylphenyl)methanesulfonate; triphenyl-[(N-phenylanilino)-phenyliminomethyl]ammonium IUPAC Name: (4-methylphenyl)methanesulfonate; triphenyl-(N,N,N'-triphenylcarbamimidoyl)azanium Traditional Name: p-tolylmethanesulfonate; triphenyl-(N,N,N'-triphenylamidino)ammonium Formula: C45H39N3O3S MolecularWeight: 701.87446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CS(=O)(=O)[O-].C1=CC=C(C=C1)N=C(N(C2=CC=CC=C2)C3=CC=CC=C3)[N+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)CS(=O)(=O)[O-].C1=CC=C(C=C1)N=C(N(C2=CC=CC=C2)C3=CC=CC=C3)[N+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C37H30N3.C8H10O3S/c1-7-19-31(20-8-1)38-37(39(32-21-9-2-10-22-32)33-23-11-3-12-24-33)40(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36;1-7-2-4-8(5-3-7)6-12(9,10)11/h1-30H;2-5H,6H2,1H3,(H,9,10,11)/q+1;/p-1