N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-3-ium-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-3-ium-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-benzofuro[3,2-d]pyrimidin-3-ium-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4-benzofuro[3,2-d]pyrimidin-3-iumamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-3-ium-4-amine Traditional Name: (2-methylbenzofuro[3,2-d]pyrimidin-3-ium-4-yl)-piperonyl-amine Formula: C19H16N3O3+ MolecularWeight: 334.34864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=[NH+]1)NCC3=CC4=C(C=C3)OCO4)OC5=CC=CC=C52

Isomeric SMILES

CC1=NC2=C(C(=[NH+]1)NCC3=CC4=C(C=C3)OCO4)OC5=CC=CC=C52

InChI

InChI=1S/C19H15N3O3/c1-11-21-17-13-4-2-3-5-14(13)25-18(17)19(22-11)20-9-12-6-7-15-16(8-12)24-10-23-15/h2-8H,9-10H2,1H3,(H,20,21,22)/p+1