methyl 4-[[2-[[(2S)-2-aminocarbonylpyrrolidin-1-ium-1-yl]methyl]quinazolin-4-yl]amino]butanoate

Systemtic Name: methyl 4-[[2-[[(2S)-2-aminocarbonylpyrrolidin-1-ium-1-yl]methyl]quinazolin-4-yl]amino]butanoate Openeye Name: methyl 4-[[2-[[(2S)-2-carbamoylpyrrolidin-1-ium-1-yl]methyl]quinazolin-4-yl]amino]butanoate CAS Name: 4-[[2-[[(2S)-2-carbamoyl-1-pyrrolidin-1-iumyl]methyl]-4-quinazolinyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-[[(2S)-2-carbamoylpyrrolidin-1-ium-1-yl]methyl]quinazolin-4-yl]amino]butanoate Traditional Name: 4-[[2-[[(2S)-2-carbamoylpyrrolidin-1-ium-1-yl]methyl]quinazolin-4-yl]amino]butyric acid methyl ester Formula: C19H26N5O3+ MolecularWeight: 372.44144

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC1=NC(=NC2=CC=CC=C21)C[NH+]3CCCC3C(=O)N

Isomeric SMILES

COC(=O)CCCNC1=NC(=NC2=CC=CC=C21)C[NH+]3CCC[C@H]3C(=O)N

InChI

InChI=1S/C19H25N5O3/c1-27-17(25)9-4-10-21-19-13-6-2-3-7-14(13)22-16(23-19)12-24-11-5-8-15(24)18(20)26/h2-3,6-7,15H,4-5,8-12H2,1H3,(H2,20,26)(H,21,22,23)/p+1/t15-/m0/s1