N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-pyridin-3-yl-quinazolin-4-amine

Systemtic Name: N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-pyridin-3-yl-quinazolin-4-amine Openeye Name: N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(3-pyridyl)quinazolin-4-amine CAS Name: N-[(2R)-2-(3-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-(3-pyridinyl)-4-quinazolinamine IUPAC Name: N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2-pyridin-3-ylquinazolin-4-amine Traditional Name: [(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-[2-(3-pyridyl)quinazolin-4-yl]amine Formula: C26H28N5O+ MolecularWeight: 426.53342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CNC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4)[NH+]5CCCC5

Isomeric SMILES

COC1=CC=CC(=C1)[C@H](CNC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4)[NH+]5CCCC5

InChI

InChI=1S/C26H27N5O/c1-32-21-10-6-8-19(16-21)24(31-14-4-5-15-31)18-28-26-22-11-2-3-12-23(22)29-25(30-26)20-9-7-13-27-17-20/h2-3,6-13,16-17,24H,4-5,14-15,18H2,1H3,(H,28,29,30)/p+1/t24-/m0/s1