N-[(1R,2R)-2-methylcyclohexyl]-2-[4-oxidanylidene-2-(piperidin-1-ium-1-ylmethyl)quinazolin-3-yl]ethanamide

Systemtic Name: N-[(1R,2R)-2-methylcyclohexyl]-2-[4-oxidanylidene-2-(piperidin-1-ium-1-ylmethyl)quinazolin-3-yl]ethanamide Openeye Name: N-[(1R,2R)-2-methylcyclohexyl]-2-[4-oxo-2-(piperidin-1-ium-1-ylmethyl)quinazolin-3-yl]acetamide CAS Name: N-[(1R,2R)-2-methylcyclohexyl]-2-[4-oxo-2-(1-piperidin-1-iumylmethyl)-3-quinazolinyl]acetamide IUPAC Name: N-[(1R,2R)-2-methylcyclohexyl]-2-[4-oxo-2-(piperidin-1-ium-1-ylmethyl)quinazolin-3-yl]acetamide Traditional Name: 2-[4-keto-2-(piperidin-1-ium-1-ylmethyl)quinazolin-3-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide Formula: C23H33N4O2+ MolecularWeight: 397.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)CN2C(=NC3=CC=CC=C3C2=O)C[NH+]4CCCCC4

Isomeric SMILES

C[C@@H]1CCCC[C@H]1NC(=O)CN2C(=NC3=CC=CC=C3C2=O)C[NH+]4CCCCC4

InChI

InChI=1S/C23H32N4O2/c1-17-9-3-5-11-19(17)25-22(28)16-27-21(15-26-13-7-2-8-14-26)24-20-12-6-4-10-18(20)23(27)29/h4,6,10,12,17,19H,2-3,5,7-9,11,13-16H2,1H3,(H,25,28)/p+1/t17-,19-/m1/s1