4-chloranyl-2-[2-ethyl-6-(4-ethylphenyl)-2-methyl-3,4-dihydro-1H-pyrimidin-3-ium-4-yl]phenol

Systemtic Name: 4-chloranyl-2-[2-ethyl-6-(4-ethylphenyl)-2-methyl-3,4-dihydro-1H-pyrimidin-3-ium-4-yl]phenol Openeye Name: 4-chloro-2-[2-ethyl-6-(4-ethylphenyl)-2-methyl-3,4-dihydro-1H-pyrimidin-3-ium-4-yl]phenol CAS Name: 4-chloro-2-[2-ethyl-6-(4-ethylphenyl)-2-methyl-3,4-dihydro-1H-pyrimidin-3-ium-4-yl]phenol IUPAC Name: 4-chloro-2-[2-ethyl-6-(4-ethylphenyl)-2-methyl-3,4-dihydro-1H-pyrimidin-3-ium-4-yl]phenol Traditional Name: 4-chloro-2-[2-ethyl-6-(4-ethylphenyl)-2-methyl-3,4-dihydro-1H-pyrimidin-3-ium-4-yl]phenol Formula: C21H26ClN2O+ MolecularWeight: 357.89694

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CC([NH2+]C(N2)(C)CC)C3=C(C=CC(=C3)Cl)O

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CC([NH2+]C(N2)(C)CC)C3=C(C=CC(=C3)Cl)O

InChI

InChI=1S/C21H25ClN2O/c1-4-14-6-8-15(9-7-14)18-13-19(24-21(3,5-2)23-18)17-12-16(22)10-11-20(17)25/h6-13,19,23-25H,4-5H2,1-3H3/p+1