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

Systemtic Name: 4-bromanyl-2-[6-(4-ethylphenyl)-2-methyl-2-(2-methylpropyl)-3,4-dihydro-1H-pyrimidin-3-ium-4-yl]phenol Openeye Name: 4-bromo-2-[6-(4-ethylphenyl)-2-isobutyl-2-methyl-3,4-dihydro-1H-pyrimidin-3-ium-4-yl]phenol CAS Name: 4-bromo-2-[6-(4-ethylphenyl)-2-methyl-2-(2-methylpropyl)-3,4-dihydro-1H-pyrimidin-3-ium-4-yl]phenol IUPAC Name: 4-bromo-2-[6-(4-ethylphenyl)-2-methyl-2-(2-methylpropyl)-3,4-dihydro-1H-pyrimidin-3-ium-4-yl]phenol Traditional Name: 4-bromo-2-[6-(4-ethylphenyl)-2-isobutyl-2-methyl-3,4-dihydro-1H-pyrimidin-3-ium-4-yl]phenol Formula: C23H30BrN2O+ MolecularWeight: 430.4011

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29BrN2O/c1-5-16-6-8-17(9-7-16)20-13-21(19-12-18(24)10-11-22(19)27)26-23(4,25-20)14-15(2)3/h6-13,15,21,25-27H,5,14H2,1-4H3/p+1