N-(4-octylphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine ethanoate

Systemtic Name: N-(4-octylphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine ethanoate Openeye Name: N-(4-octylphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine acetate CAS Name: N-(4-octylphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine acetate IUPAC Name: N-(4-octylphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine acetate Traditional Name: (4-octylphenyl)-(1,4,5,6-tetrahydropyrimidin-2-yl)amine acetate Formula: C20H32N3O2- MolecularWeight: 346.48698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)NC2=NCCCN2.CC(=O)[O-]

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)NC2=NCCCN2.CC(=O)[O-]

InChI

InChI=1S/C18H29N3.C2H4O2/c1-2-3-4-5-6-7-9-16-10-12-17(13-11-16)21-18-19-14-8-15-20-18;1-2(3)4/h10-13H,2-9,14-15H2,1H3,(H2,19,20,21);1H3,(H,3,4)/p-1