2-(2-octoxyphenyl)-1,4,5,6-tetrahydropyrimidin-3-ium

Systemtic Name: 2-(2-octoxyphenyl)-1,4,5,6-tetrahydropyrimidin-3-ium Openeye Name: 2-(2-octoxyphenyl)-1,4,5,6-tetrahydropyrimidin-3-ium CAS Name: 2-(2-octoxyphenyl)-1,4,5,6-tetrahydropyrimidin-3-ium IUPAC Name: 2-(2-octoxyphenyl)-1,4,5,6-tetrahydropyrimidin-3-ium Traditional Name: 2-(2-octoxyphenyl)-1,4,5,6-tetrahydropyrimidin-3-ium Formula: C18H29N2O+ MolecularWeight: 289.43566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=CC=C1C2=[NH+]CCCN2

Isomeric SMILES

CCCCCCCCOC1=CC=CC=C1C2=[NH+]CCCN2

InChI

InChI=1S/C18H28N2O/c1-2-3-4-5-6-9-15-21-17-12-8-7-11-16(17)18-19-13-10-14-20-18/h7-8,11-12H,2-6,9-10,13-15H2,1H3,(H,19,20)/p+1