N-(4-phenylmethoxyphenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-amine

Systemtic Name: N-(4-phenylmethoxyphenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-amine Openeye Name: N-(4-benzyloxyphenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-amine CAS Name: N-(4-phenylmethoxyphenyl)-2-(1-pyrrolidin-1-iumylmethyl)-4-quinazolinamine IUPAC Name: N-(4-phenylmethoxyphenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-amine Traditional Name: (4-benzoxyphenyl)-[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amine Formula: C26H27N4O+ MolecularWeight: 411.51878

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=NC3=CC=CC=C3C(=N2)NC4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1CC[NH+](C1)CC2=NC3=CC=CC=C3C(=N2)NC4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C26H26N4O/c1-2-8-20(9-3-1)19-31-22-14-12-21(13-15-22)27-26-23-10-4-5-11-24(23)28-25(29-26)18-30-16-6-7-17-30/h1-5,8-15H,6-7,16-19H2,(H,27,28,29)/p+1