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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-[1]benzofuro[3,2-d]pyrimidin-3-ium-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-benzofuro[3,2-d]pyrimidin-3-ium-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-4-benzofuro[3,2-d]pyrimidin-3-iumamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-[1]benzofuro[3,2-d]pyrimidin-3-ium-4-amine Traditional Name: (2-ethylbenzofuro[3,2-d]pyrimidin-3-ium-4-yl)-piperonyl-amine Formula: C20H18N3O3+ MolecularWeight: 348.37522

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(=[NH+]1)NCC3=CC4=C(C=C3)OCO4)OC5=CC=CC=C52

Isomeric SMILES

CCC1=NC2=C(C(=[NH+]1)NCC3=CC4=C(C=C3)OCO4)OC5=CC=CC=C52

InChI

InChI=1S/C20H17N3O3/c1-2-17-22-18-13-5-3-4-6-14(13)26-19(18)20(23-17)21-10-12-7-8-15-16(9-12)25-11-24-15/h3-9H,2,10-11H2,1H3,(H,21,22,23)/p+1