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

Systemtic Name: 2-pyridin-3-yl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]quinazolin-4-amine Openeye Name: 2-(3-pyridyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]quinazolin-4-amine CAS Name: 2-(3-pyridinyl)-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-4-quinazolinamine IUPAC Name: 2-pyridin-3-yl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]quinazolin-4-amine Traditional Name: [2-(3-pyridyl)quinazolin-4-yl]-[2-(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=CC=C2CNC3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5

InChI

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