methyl 1-[(4-azanylquinazolin-2-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[(4-azanylquinazolin-2-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(4-aminoquinazolin-2-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(4-amino-2-quinazolinyl)methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(4-aminoquinazolin-2-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(4-aminoquinazolin-2-yl)methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C16H21N4O2+ MolecularWeight: 301.36354

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC2=NC3=CC=CC=C3C(=N2)N

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CC2=NC3=CC=CC=C3C(=N2)N

InChI

InChI=1S/C16H20N4O2/c1-22-16(21)11-6-8-20(9-7-11)10-14-18-13-5-3-2-4-12(13)15(17)19-14/h2-5,11H,6-10H2,1H3,(H2,17,18,19)/p+1