bis(azanyl)methylidene-(4-butan-2-ylphenyl)-[(4-tert-butylphenyl)methyl]azanium; methanesulfonate

Systemtic Name: bis(azanyl)methylidene-(4-butan-2-ylphenyl)-[(4-tert-butylphenyl)methyl]azanium; methanesulfonate Openeye Name: (4-tert-butylphenyl)methyl-(diaminomethylene)-(4-sec-butylphenyl)ammonium; methanesulfonate CAS Name: (4-butan-2-ylphenyl)-[(4-tert-butylphenyl)methyl]-(diaminomethylidene)ammonium; methanesulfonate IUPAC Name: (4-butan-2-ylphenyl)-[(4-tert-butylphenyl)methyl]-(diaminomethylidene)azanium; methanesulfonate Traditional Name: (4-tert-butylbenzyl)-(diaminomethylene)-(4-sec-butylphenyl)ammonium mesylate Formula: C23H35N3O3S MolecularWeight: 433.6073

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)[N+](=C(N)N)CC2=CC=C(C=C2)C(C)(C)C.CS(=O)(=O)[O-]

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)[N+](=C(N)N)CC2=CC=C(C=C2)C(C)(C)C.CS(=O)(=O)[O-]

InChI

InChI=1S/C22H31N3.CH4O3S/c1-6-16(2)18-9-13-20(14-10-18)25(21(23)24)15-17-7-11-19(12-8-17)22(3,4)5;1-5(2,3)4/h7-14,16H,6,15H2,1-5H3,(H3,23,24);1H3,(H,2,3,4)