N-(1,3-benzodioxol-5-yl)-2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-amine Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-amine CAS Name: N-(1,3-benzodioxol-5-yl)-2-(1-pyrrolidin-1-iumylmethyl)-4-quinazolinamine IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-amine Traditional Name: 1,3-benzodioxol-5-yl-[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amine Formula: C20H21N4O2+ MolecularWeight: 349.40634

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=NC3=CC=CC=C3C(=N2)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC[NH+](C1)CC2=NC3=CC=CC=C3C(=N2)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H20N4O2/c1-2-6-16-15(5-1)20(23-19(22-16)12-24-9-3-4-10-24)21-14-7-8-17-18(11-14)26-13-25-17/h1-2,5-8,11H,3-4,9-10,12-13H2,(H,21,22,23)/p+1