N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-3-(4-oxidanylidene-1H-quinazolin-2-yl)propanamide

Systemtic Name: N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-3-(4-oxidanylidene-1H-quinazolin-2-yl)propanamide Openeye Name: N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-3-(4-oxo-1H-quinazolin-2-yl)propanamide CAS Name: N-[4-(4-morpholin-4-iumylmethyl)phenyl]-3-(4-oxo-1H-quinazolin-2-yl)propanamide IUPAC Name: N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-3-(4-oxo-1H-quinazolin-2-yl)propanamide Traditional Name: 3-(4-keto-1H-quinazolin-2-yl)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]propionamide Formula: C22H25N4O3+ MolecularWeight: 393.4589

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=C(C=C2)NC(=O)CCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1COCC[NH+]1CC2=CC=C(C=C2)NC(=O)CCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C22H24N4O3/c27-21(10-9-20-24-19-4-2-1-3-18(19)22(28)25-20)23-17-7-5-16(6-8-17)15-26-11-13-29-14-12-26/h1-8H,9-15H2,(H,23,27)(H,24,25,28)/p+1