2-[(2R,6R)-4-(4-methoxyphenyl)-2-propyl-1,2,5,6-tetrahydropyrimidin-1-ium-6-yl]phenol

Systemtic Name: 2-[(2R,6R)-4-(4-methoxyphenyl)-2-propyl-1,2,5,6-tetrahydropyrimidin-1-ium-6-yl]phenol Openeye Name: 2-[(2R,6R)-4-(4-methoxyphenyl)-2-propyl-1,2,5,6-tetrahydropyrimidin-1-ium-6-yl]phenol CAS Name: 2-[(2R,6R)-4-(4-methoxyphenyl)-2-propyl-1,2,5,6-tetrahydropyrimidin-1-ium-6-yl]phenol IUPAC Name: 2-[(2R,6R)-4-(4-methoxyphenyl)-2-propyl-1,2,5,6-tetrahydropyrimidin-1-ium-6-yl]phenol Traditional Name: 2-[(2R,6R)-4-(4-methoxyphenyl)-2-propyl-1,2,5,6-tetrahydropyrimidin-1-ium-6-yl]phenol Formula: C20H25N2O2+ MolecularWeight: 325.4247

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC[C@@H]1[NH2+][C@H](CC(=N1)C2=CC=C(C=C2)OC)C3=CC=CC=C3O

InChI

InChI=1S/C20H24N2O2/c1-3-6-20-21-17(14-9-11-15(24-2)12-10-14)13-18(22-20)16-7-4-5-8-19(16)23/h4-5,7-12,18,20,22-23H,3,6,13H2,1-2H3/p+1/t18-,20+/m1/s1