7-chloranyl-2-[[[4-(morpholin-4-ium-4-ylmethyl)phenyl]amino]methyl]-1H-quinazolin-4-one

Systemtic Name: 7-chloranyl-2-[[[4-(morpholin-4-ium-4-ylmethyl)phenyl]amino]methyl]-1H-quinazolin-4-one Openeye Name: 7-chloro-2-[[4-(morpholin-4-ium-4-ylmethyl)anilino]methyl]-1H-quinazolin-4-one CAS Name: 7-chloro-2-[[4-(4-morpholin-4-iumylmethyl)anilino]methyl]-1H-quinazolin-4-one IUPAC Name: 7-chloro-2-[[4-(morpholin-4-ium-4-ylmethyl)anilino]methyl]-1H-quinazolin-4-one Traditional Name: 7-chloro-2-[[4-(morpholin-4-ium-4-ylmethyl)anilino]methyl]-1H-quinazolin-4-one Formula: C20H22ClN4O2+ MolecularWeight: 385.86728

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=C(C=C2)NCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

Isomeric SMILES

C1COCC[NH+]1CC2=CC=C(C=C2)NCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

InChI

InChI=1S/C20H21ClN4O2/c21-15-3-6-17-18(11-15)23-19(24-20(17)26)12-22-16-4-1-14(2-5-16)13-25-7-9-27-10-8-25/h1-6,11,22H,7-10,12-13H2,(H,23,24,26)/p+1