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

Systemtic Name: 2-[6-(1,3-benzodioxol-5-yl)-2-methyl-2-propyl-3,4-dihydro-1H-pyrimidin-3-ium-4-yl]phenol Openeye Name: 2-[6-(1,3-benzodioxol-5-yl)-2-methyl-2-propyl-3,4-dihydro-1H-pyrimidin-3-ium-4-yl]phenol CAS Name: 2-[6-(1,3-benzodioxol-5-yl)-2-methyl-2-propyl-3,4-dihydro-1H-pyrimidin-3-ium-4-yl]phenol IUPAC Name: 2-[6-(1,3-benzodioxol-5-yl)-2-methyl-2-propyl-3,4-dihydro-1H-pyrimidin-3-ium-4-yl]phenol Traditional Name: 2-[6-(1,3-benzodioxol-5-yl)-2-methyl-2-propyl-3,4-dihydro-1H-pyrimidin-3-ium-4-yl]phenol Formula: C21H25N2O3+ MolecularWeight: 353.4348

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1([NH2+]C(C=C(N1)C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4O)C

Isomeric SMILES

CCCC1([NH2+]C(C=C(N1)C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4O)C

InChI

InChI=1S/C21H24N2O3/c1-3-10-21(2)22-16(14-8-9-19-20(11-14)26-13-25-19)12-17(23-21)15-6-4-5-7-18(15)24/h4-9,11-12,17,22-24H,3,10,13H2,1-2H3/p+1