2-[6-(1,3-benzodioxol-5-yl)-2-propyl-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol

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

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3/c1-2-5-20-21-15(13-8-9-18-19(10-13)25-12-24-18)11-16(22-20)14-6-3-4-7-17(14)23/h3-4,6-11,16,20-23H,2,5,12H2,1H3/p+1