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

Systemtic Name: 4-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]butanoate Openeye Name: 4-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]butanoate CAS Name: 4-[[2-(1-pyrrolidin-1-iumylmethyl)-4-quinazolinyl]amino]butanoate IUPAC Name: 4-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]butanoate Traditional Name: 4-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]butyrate Formula: C17H22N4O2 MolecularWeight: 314.38218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O2/c22-16(23)8-5-9-18-17-13-6-1-2-7-14(13)19-15(20-17)12-21-10-3-4-11-21/h1-2,6-7H,3-5,8-12H2,(H,22,23)(H,18,19,20)