methyl (2R)-1-[(4-azanyl-6-methyl-quinazolin-2-yl)methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: methyl (2R)-1-[(4-azanyl-6-methyl-quinazolin-2-yl)methyl]piperidin-1-ium-2-carboxylate Openeye Name: methyl (2R)-1-[(4-amino-6-methyl-quinazolin-2-yl)methyl]piperidin-1-ium-2-carboxylate CAS Name: (2R)-1-[(4-amino-6-methyl-2-quinazolinyl)methyl]-2-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2R)-1-[(4-amino-6-methylquinazolin-2-yl)methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2R)-1-[(4-amino-6-methyl-quinazolin-2-yl)methyl]piperidin-1-ium-2-carboxylic acid methyl ester Formula: C17H23N4O2+ MolecularWeight: 315.39012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N=C2N)C[NH+]3CCCCC3C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N=C2N)C[NH+]3CCCC[C@@H]3C(=O)OC

InChI

InChI=1S/C17H22N4O2/c1-11-6-7-13-12(9-11)16(18)20-15(19-13)10-21-8-4-3-5-14(21)17(22)23-2/h6-7,9,14H,3-5,8,10H2,1-2H3,(H2,18,19,20)/p+1/t14-/m1/s1