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

Systemtic Name: N-(4-morpholin-4-ylphenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-amine Openeye Name: N-(4-morpholinophenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-amine CAS Name: N-[4-(4-morpholinyl)phenyl]-2-(1-pyrrolidin-1-iumylmethyl)-4-quinazolinamine IUPAC Name: N-(4-morpholin-4-ylphenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-amine Traditional Name: (4-morpholinophenyl)-[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amine Formula: C23H28N5O+ MolecularWeight: 390.50132

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=NC3=CC=CC=C3C(=N2)NC4=CC=C(C=C4)N5CCOCC5

Isomeric SMILES

C1CC[NH+](C1)CC2=NC3=CC=CC=C3C(=N2)NC4=CC=C(C=C4)N5CCOCC5

InChI

InChI=1S/C23H27N5O/c1-2-6-21-20(5-1)23(26-22(25-21)17-27-11-3-4-12-27)24-18-7-9-19(10-8-18)28-13-15-29-16-14-28/h1-2,5-10H,3-4,11-17H2,(H,24,25,26)/p+1