2-pyridin-3-yl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]quinazolin-4-amine

Systemtic Name: 2-pyridin-3-yl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]quinazolin-4-amine Openeye Name: 2-(3-pyridyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]quinazolin-4-amine CAS Name: 2-(3-pyridinyl)-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-4-quinazolinamine IUPAC Name: 2-pyridin-3-yl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]quinazolin-4-amine Traditional Name: [2-(3-pyridyl)quinazolin-4-yl]-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]amine Formula: C25H26N5+ MolecularWeight: 396.50744

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5

InChI

InChI=1S/C25H25N5/c1-2-8-23-22(7-1)25(29-24(28-23)21-6-5-13-26-17-21)27-16-19-9-11-20(12-10-19)18-30-14-3-4-15-30/h1-2,5-13,17H,3-4,14-16,18H2,(H,27,28,29)/p+1