2-[6-(4-ethoxyphenyl)-2-propyl-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol

Systemtic Name: 2-[6-(4-ethoxyphenyl)-2-propyl-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol Openeye Name: 2-[6-(4-ethoxyphenyl)-2-propyl-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol CAS Name: 2-[6-(4-ethoxyphenyl)-2-propyl-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol IUPAC Name: 2-[6-(4-ethoxyphenyl)-2-propyl-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol Traditional Name: 2-(6-p-phenetyl-2-propyl-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl)phenol Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1[NH2+]C(C=C(N1)C2=CC=C(C=C2)OCC)C3=CC=CC=C3O

Isomeric SMILES

CCCC1[NH2+]C(C=C(N1)C2=CC=C(C=C2)OCC)C3=CC=CC=C3O

InChI

InChI=1S/C21H26N2O2/c1-3-7-21-22-18(15-10-12-16(13-11-15)25-4-2)14-19(23-21)17-8-5-6-9-20(17)24/h5-6,8-14,19,21-24H,3-4,7H2,1-2H3/p+1