N-(2-morpholin-4-ium-4-ylethyl)-4-[(4-oxidanylidenequinazolin-3-yl)methyl]cyclohexane-1-carboxamide

Systemtic Name: N-(2-morpholin-4-ium-4-ylethyl)-4-[(4-oxidanylidenequinazolin-3-yl)methyl]cyclohexane-1-carboxamide Openeye Name: N-(2-morpholin-4-ium-4-ylethyl)-4-[(4-oxoquinazolin-3-yl)methyl]cyclohexanecarboxamide CAS Name: N-[2-(4-morpholin-4-iumyl)ethyl]-4-[(4-oxo-3-quinazolinyl)methyl]-1-cyclohexanecarboxamide IUPAC Name: N-(2-morpholin-4-ium-4-ylethyl)-4-[(4-oxoquinazolin-3-yl)methyl]cyclohexane-1-carboxamide Traditional Name: 4-[(4-ketoquinazolin-3-yl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)cyclohexanecarboxamide Formula: C22H31N4O3+ MolecularWeight: 399.50654

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN2C=NC3=CC=CC=C3C2=O)C(=O)NCC[NH+]4CCOCC4

Isomeric SMILES

C1CC(CCC1CN2C=NC3=CC=CC=C3C2=O)C(=O)NCC[NH+]4CCOCC4

InChI

InChI=1S/C22H30N4O3/c27-21(23-9-10-25-11-13-29-14-12-25)18-7-5-17(6-8-18)15-26-16-24-20-4-2-1-3-19(20)22(26)28/h1-4,16-18H,5-15H2,(H,23,27)/p+1