(2S,3S)-3-oxidanyl-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]azaniumyl]butanoate

Systemtic Name: (2S,3S)-3-oxidanyl-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]azaniumyl]butanoate Openeye Name: (2S,3S)-3-hydroxy-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]ammonio]butanoate CAS Name: (2S,3S)-3-hydroxy-2-[[2-(1-pyrrolidin-1-iumylmethyl)-4-quinazolinyl]ammonio]butanoate IUPAC Name: (2S,3S)-3-hydroxy-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]azaniumyl]butanoate Traditional Name: (2S,3S)-3-hydroxy-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]ammonio]butyrate Formula: C17H23N4O3+ MolecularWeight: 331.38952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)[O-])[NH2+]C1=NC(=NC2=CC=CC=C21)C[NH+]3CCCC3)O

Isomeric SMILES

C[C@@H]([C@@H](C(=O)[O-])[NH2+]C1=NC(=NC2=CC=CC=C21)C[NH+]3CCCC3)O

InChI

InChI=1S/C17H22N4O3/c1-11(22)15(17(23)24)20-16-12-6-2-3-7-13(12)18-14(19-16)10-21-8-4-5-9-21/h2-3,6-7,11,15,22H,4-5,8-10H2,1H3,(H,23,24)(H,18,19,20)/p+1/t11-,15-/m0/s1