4-[(2-methyl-2-morpholin-4-ium-4-yl-propyl)iminomethyl]-2-phenyl-4H-isoquinoline-1,3-dione

Systemtic Name: 4-[(2-methyl-2-morpholin-4-ium-4-yl-propyl)iminomethyl]-2-phenyl-4H-isoquinoline-1,3-dione Openeye Name: 4-[(2-methyl-2-morpholin-4-ium-4-yl-propyl)iminomethyl]-2-phenyl-4H-isoquinoline-1,3-dione CAS Name: 4-[[2-methyl-2-(4-morpholin-4-iumyl)propyl]iminomethyl]-2-phenyl-4H-isoquinoline-1,3-dione IUPAC Name: 4-[(2-methyl-2-morpholin-4-ium-4-ylpropyl)iminomethyl]-2-phenyl-4H-isoquinoline-1,3-dione Traditional Name: 4-[(2-methyl-2-morpholin-4-ium-4-yl-propyl)iminomethyl]-2-phenyl-4H-isoquinoline-1,3-quinone Formula: C24H28N3O3+ MolecularWeight: 406.49742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN=CC1C2=CC=CC=C2C(=O)N(C1=O)C3=CC=CC=C3)[NH+]4CCOCC4

Isomeric SMILES

CC(C)(CN=CC1C2=CC=CC=C2C(=O)N(C1=O)C3=CC=CC=C3)[NH+]4CCOCC4

InChI

InChI=1S/C24H27N3O3/c1-24(2,26-12-14-30-15-13-26)17-25-16-21-19-10-6-7-11-20(19)22(28)27(23(21)29)18-8-4-3-5-9-18/h3-11,16,21H,12-15,17H2,1-2H3/p+1