butyl-[(4-tert-butylphenyl)methyl]-carbamimidoyl-cyclohexyl-azanium ethanoate

Systemtic Name: butyl-[(4-tert-butylphenyl)methyl]-carbamimidoyl-cyclohexyl-azanium ethanoate Openeye Name: butyl-[(4-tert-butylphenyl)methyl]-carbamimidoyl-cyclohexyl-ammonium acetate CAS Name: butyl-[(4-tert-butylphenyl)methyl]-carbamimidoyl-cyclohexylammonium acetate IUPAC Name: butyl-[(4-tert-butylphenyl)methyl]-carbamimidoyl-cyclohexylazanium acetate Traditional Name: amidino-butyl-(4-tert-butylbenzyl)-cyclohexyl-ammonium acetate Formula: C24H41N3O2 MolecularWeight: 403.60124

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CC1=CC=C(C=C1)C(C)(C)C)(C2CCCCC2)C(=N)N.CC(=O)[O-]

Isomeric SMILES

CCCC[N+](CC1=CC=C(C=C1)C(C)(C)C)(C2CCCCC2)C(=N)N.CC(=O)[O-]

InChI

InChI=1S/C22H38N3.C2H4O2/c1-5-6-16-25(21(23)24,20-10-8-7-9-11-20)17-18-12-14-19(15-13-18)22(2,3)4;1-2(3)4/h12-15,20H,5-11,16-17H2,1-4H3,(H3,23,24);1H3,(H,3,4)/q+1;/p-1