2-[6-(4-chlorophenyl)-2-methyl-2-propyl-3,4-dihydro-1H-pyrimidin-3-ium-4-yl]-6-methoxy-phenol

Systemtic Name: 2-[6-(4-chlorophenyl)-2-methyl-2-propyl-3,4-dihydro-1H-pyrimidin-3-ium-4-yl]-6-methoxy-phenol Openeye Name: 2-[6-(4-chlorophenyl)-2-methyl-2-propyl-3,4-dihydro-1H-pyrimidin-3-ium-4-yl]-6-methoxy-phenol CAS Name: 2-[6-(4-chlorophenyl)-2-methyl-2-propyl-3,4-dihydro-1H-pyrimidin-3-ium-4-yl]-6-methoxyphenol IUPAC Name: 2-[6-(4-chlorophenyl)-2-methyl-2-propyl-3,4-dihydro-1H-pyrimidin-3-ium-4-yl]-6-methoxyphenol Traditional Name: 2-[6-(4-chlorophenyl)-2-methyl-2-propyl-3,4-dihydro-1H-pyrimidin-3-ium-4-yl]-6-methoxy-phenol Formula: C21H26ClN2O2+ MolecularWeight: 373.89634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O2/c1-4-12-21(2)23-17(14-8-10-15(22)11-9-14)13-18(24-21)16-6-5-7-19(26-3)20(16)25/h5-11,13,18,23-25H,4,12H2,1-3H3/p+1