butyl-[(2S)-3-(furan-2-ylmethoxy)-2-oxidanyl-propyl]-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium

Systemtic Name: butyl-[(2S)-3-(furan-2-ylmethoxy)-2-oxidanyl-propyl]-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: butyl-[(2S)-3-(2-furylmethoxy)-2-hydroxy-propyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: butyl-[(2S)-3-(2-furanylmethoxy)-2-hydroxypropyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: butyl-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: butyl-[(2S)-3-(2-furfuryloxy)-2-hydroxy-propyl]-[(4-keto-1H-quinazolin-2-yl)methyl]ammonium Formula: C21H28N3O4+ MolecularWeight: 386.46472

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CC1=NC(=O)C2=CC=CC=C2N1)CC(COCC3=CC=CO3)O

Isomeric SMILES

CCCC[NH+](CC1=NC(=O)C2=CC=CC=C2N1)C[C@@H](COCC3=CC=CO3)O

InChI

InChI=1S/C21H27N3O4/c1-2-3-10-24(12-16(25)14-27-15-17-7-6-11-28-17)13-20-22-19-9-5-4-8-18(19)21(26)23-20/h4-9,11,16,25H,2-3,10,12-15H2,1H3,(H,22,23,26)/p+1/t16-/m0/s1