methyl (2S)-1-[[4-(dimethylamino)quinazolin-3-ium-2-yl]methyl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S)-1-[[4-(dimethylamino)quinazolin-3-ium-2-yl]methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S)-1-[[4-(dimethylamino)quinazolin-3-ium-2-yl]methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S)-1-[[4-(dimethylamino)-2-quinazolin-3-iumyl]methyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[[4-(dimethylamino)quinazolin-3-ium-2-yl]methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S)-1-[[4-(dimethylamino)quinazolin-3-ium-2-yl]methyl]pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C17H24N4O2+2 MolecularWeight: 316.39806

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=[NH+]C(=NC2=CC=CC=C21)C[NH+]3CCCC3C(=O)OC

Isomeric SMILES

CN(C)C1=[NH+]C(=NC2=CC=CC=C21)C[NH+]3CCC[C@H]3C(=O)OC

InChI

InChI=1S/C17H22N4O2/c1-20(2)16-12-7-4-5-8-13(12)18-15(19-16)11-21-10-6-9-14(21)17(22)23-3/h4-5,7-8,14H,6,9-11H2,1-3H3/p+2/t14-/m0/s1