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carbamimidoyl-[(4-dodecylphenyl)methyl]azanium ethanoate

carbamimidoyl-[(4-dodecylphenyl)methyl]azanium ethanoate

Systemtic Name:carbamimidoyl-[(4-dodecylphenyl)methyl]azanium ethanoate
Openeye Name:carbamimidoyl-[(4-dodecylphenyl)methyl]ammonium acetate
CAS Name:carbamimidoyl-[(4-dodecylphenyl)methyl]ammonium acetate
IUPAC Name:carbamimidoyl-[(4-dodecylphenyl)methyl]azanium acetate
Traditional Name:amidino-(4-laurylbenzyl)ammonium acetate
Formula: C22H39N3O2
MolecularWeight: 377.56396
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)C[NH2+]C(=N)N.CC(=O)[O-]


Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)C[NH2+]C(=N)N.CC(=O)[O-]


InChI

InChI=1S/C20H35N3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-15-19(16-14-18)17-23-20(21)22;1-2(3)4/h13-16H,2-12,17H2,1H3,(H4,21,22,23);1H3,(H,3,4)


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