6-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]hexanoate

Systemtic Name: 6-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]hexanoate Openeye Name: 6-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]hexanoate CAS Name: 6-[[2-(1-pyrrolidin-1-iumylmethyl)-4-quinazolinyl]amino]hexanoate IUPAC Name: 6-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]hexanoate Traditional Name: 6-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]hexanoate Formula: C19H26N4O2 MolecularWeight: 342.43534

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=NC3=CC=CC=C3C(=N2)NCCCCCC(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CC2=NC3=CC=CC=C3C(=N2)NCCCCCC(=O)[O-]

InChI

InChI=1S/C19H26N4O2/c24-18(25)10-2-1-5-11-20-19-15-8-3-4-9-16(15)21-17(22-19)14-23-12-6-7-13-23/h3-4,8-9H,1-2,5-7,10-14H2,(H,24,25)(H,20,21,22)