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

Systemtic Name: (2S,3S)-3-methyl-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]azaniumyl]pentanoate Openeye Name: (2S,3S)-3-methyl-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]ammonio]pentanoate CAS Name: (2S,3S)-3-methyl-2-[[2-(1-pyrrolidin-1-iumylmethyl)-4-quinazolinyl]ammonio]pentanoate IUPAC Name: (2S,3S)-3-methyl-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]azaniumyl]pentanoate Traditional Name: (2S,3S)-3-methyl-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]ammonio]valerate Formula: C19H27N4O2+ MolecularWeight: 343.44328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O2/c1-3-13(2)17(19(24)25)22-18-14-8-4-5-9-15(14)20-16(21-18)12-23-10-6-7-11-23/h4-5,8-9,13,17H,3,6-7,10-12H2,1-2H3,(H,24,25)(H,20,21,22)/p+1/t13-,17-/m0/s1