(4-tert-butylphenyl)methyl-carbamimidoyl-cyclohexyl-methyl-azanium ethanoate

Systemtic Name: (4-tert-butylphenyl)methyl-carbamimidoyl-cyclohexyl-methyl-azanium ethanoate Openeye Name: (4-tert-butylphenyl)methyl-carbamimidoyl-cyclohexyl-methyl-ammonium acetate CAS Name: (4-tert-butylphenyl)methyl-carbamimidoyl-cyclohexyl-methylammonium acetate IUPAC Name: (4-tert-butylphenyl)methyl-carbamimidoyl-cyclohexyl-methylazanium acetate Traditional Name: amidino-(4-tert-butylbenzyl)-cyclohexyl-methyl-ammonium acetate Formula: C21H35N3O2 MolecularWeight: 361.5215

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H32N3.C2H4O2/c1-19(2,3)16-12-10-15(11-13-16)14-22(4,18(20)21)17-8-6-5-7-9-17;1-2(3)4/h10-13,17H,5-9,14H2,1-4H3,(H3,20,21);1H3,(H,3,4)/q+1;/p-1