3-[[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylideneamino]-2-methyl-quinazolin-4-one

Systemtic Name: 3-[[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylideneamino]-2-methyl-quinazolin-4-one Openeye Name: 3-[[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methyleneamino]-2-methyl-quinazolin-4-one CAS Name: 3-[[4-methoxy-3-(4-morpholin-4-iumylmethyl)phenyl]methylideneamino]-2-methyl-4-quinazolinone IUPAC Name: 3-[[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylideneamino]-2-methylquinazolin-4-one Traditional Name: 3-[[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)benzylidene]amino]-2-methyl-quinazolin-4-one Formula: C22H25N4O3+ MolecularWeight: 393.4589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1N=CC3=CC(=C(C=C3)OC)C[NH+]4CCOCC4

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1N=CC3=CC(=C(C=C3)OC)C[NH+]4CCOCC4

InChI

InChI=1S/C22H24N4O3/c1-16-24-20-6-4-3-5-19(20)22(27)26(16)23-14-17-7-8-21(28-2)18(13-17)15-25-9-11-29-12-10-25/h3-8,13-14H,9-12,15H2,1-2H3/p+1