2-[6-(1,3-benzodioxol-5-yl)-2-ethyl-2-methyl-3,4-dihydro-1H-pyrimidin-3-ium-4-yl]phenol

Systemtic Name: 2-[6-(1,3-benzodioxol-5-yl)-2-ethyl-2-methyl-3,4-dihydro-1H-pyrimidin-3-ium-4-yl]phenol Openeye Name: 2-[6-(1,3-benzodioxol-5-yl)-2-ethyl-2-methyl-3,4-dihydro-1H-pyrimidin-3-ium-4-yl]phenol CAS Name: 2-[6-(1,3-benzodioxol-5-yl)-2-ethyl-2-methyl-3,4-dihydro-1H-pyrimidin-3-ium-4-yl]phenol IUPAC Name: 2-[6-(1,3-benzodioxol-5-yl)-2-ethyl-2-methyl-3,4-dihydro-1H-pyrimidin-3-ium-4-yl]phenol Traditional Name: 2-[6-(1,3-benzodioxol-5-yl)-2-ethyl-2-methyl-3,4-dihydro-1H-pyrimidin-3-ium-4-yl]phenol Formula: C20H23N2O3+ MolecularWeight: 339.40822

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Descriptors Computed from Structure

Canonical SMILES:

CCC1([NH2+]C(C=C(N1)C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4O)C

Isomeric SMILES

CCC1([NH2+]C(C=C(N1)C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4O)C

InChI

InChI=1S/C20H22N2O3/c1-3-20(2)21-15(13-8-9-18-19(10-13)25-12-24-18)11-16(22-20)14-6-4-5-7-17(14)23/h4-11,16,21-23H,3,12H2,1-2H3/p+1