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

Systemtic Name: 2-[6-(1,3-benzodioxol-5-yl)-2-hexyl-2-methyl-3,4-dihydro-1H-pyrimidin-3-ium-4-yl]phenol Openeye Name: 2-[6-(1,3-benzodioxol-5-yl)-2-hexyl-2-methyl-3,4-dihydro-1H-pyrimidin-3-ium-4-yl]phenol CAS Name: 2-[6-(1,3-benzodioxol-5-yl)-2-hexyl-2-methyl-3,4-dihydro-1H-pyrimidin-3-ium-4-yl]phenol IUPAC Name: 2-[6-(1,3-benzodioxol-5-yl)-2-hexyl-2-methyl-3,4-dihydro-1H-pyrimidin-3-ium-4-yl]phenol Traditional Name: 2-[6-(1,3-benzodioxol-5-yl)-2-hexyl-2-methyl-3,4-dihydro-1H-pyrimidin-3-ium-4-yl]phenol Formula: C24H31N2O3+ MolecularWeight: 395.51454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1([NH2+]C(C=C(N1)C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4O)C

Isomeric SMILES

CCCCCCC1([NH2+]C(C=C(N1)C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4O)C

InChI

InChI=1S/C24H30N2O3/c1-3-4-5-8-13-24(2)25-19(17-11-12-22-23(14-17)29-16-28-22)15-20(26-24)18-9-6-7-10-21(18)27/h6-7,9-12,14-15,20,25-27H,3-5,8,13,16H2,1-2H3/p+1