methyl (2R)-1-[[4-(dimethylamino)quinazolin-3-ium-2-yl]methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: methyl (2R)-1-[[4-(dimethylamino)quinazolin-3-ium-2-yl]methyl]piperidin-1-ium-2-carboxylate Openeye Name: methyl (2R)-1-[[4-(dimethylamino)quinazolin-3-ium-2-yl]methyl]piperidin-1-ium-2-carboxylate CAS Name: (2R)-1-[[4-(dimethylamino)-2-quinazolin-3-iumyl]methyl]-2-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2R)-1-[[4-(dimethylamino)quinazolin-3-ium-2-yl]methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2R)-1-[[4-(dimethylamino)quinazolin-3-ium-2-yl]methyl]piperidin-1-ium-2-carboxylic acid methyl ester Formula: C18H26N4O2+2 MolecularWeight: 330.42464

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=[NH+]C(=NC2=CC=CC=C21)C[NH+]3CCCCC3C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O2/c1-21(2)17-13-8-4-5-9-14(13)19-16(20-17)12-22-11-7-6-10-15(22)18(23)24-3/h4-5,8-9,15H,6-7,10-12H2,1-3H3/p+2/t15-/m1/s1