6-chloranyl-N-(3-propan-2-yloxypropyl)-2-[[(2S)-2-pyridin-2-ylpiperidin-1-ium-1-yl]methyl]quinazolin-4-amine

Systemtic Name: 6-chloranyl-N-(3-propan-2-yloxypropyl)-2-[[(2S)-2-pyridin-2-ylpiperidin-1-ium-1-yl]methyl]quinazolin-4-amine Openeye Name: 6-chloro-N-(3-isopropoxypropyl)-2-[[(2S)-2-(2-pyridyl)piperidin-1-ium-1-yl]methyl]quinazolin-4-amine CAS Name: 6-chloro-N-(3-propan-2-yloxypropyl)-2-[[(2S)-2-(2-pyridinyl)-1-piperidin-1-iumyl]methyl]-4-quinazolinamine IUPAC Name: 6-chloro-N-(3-propan-2-yloxypropyl)-2-[[(2S)-2-pyridin-2-ylpiperidin-1-ium-1-yl]methyl]quinazolin-4-amine Traditional Name: [6-chloro-2-[[(2S)-2-(2-pyridyl)piperidin-1-ium-1-yl]methyl]quinazolin-4-yl]-(3-isopropoxypropyl)amine Formula: C25H33ClN5O+ MolecularWeight: 455.01542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC1=NC(=NC2=C1C=C(C=C2)Cl)C[NH+]3CCCCC3C4=CC=CC=N4

Isomeric SMILES

CC(C)OCCCNC1=NC(=NC2=C1C=C(C=C2)Cl)C[NH+]3CCCC[C@H]3C4=CC=CC=N4

InChI

InChI=1S/C25H32ClN5O/c1-18(2)32-15-7-13-28-25-20-16-19(26)10-11-21(20)29-24(30-25)17-31-14-6-4-9-23(31)22-8-3-5-12-27-22/h3,5,8,10-12,16,18,23H,4,6-7,9,13-15,17H2,1-2H3,(H,28,29,30)/p+1/t23-/m0/s1