4-methyl-8-[[[4-(morpholin-4-ium-4-ylmethyl)phenyl]amino]methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 4-methyl-8-[[[4-(morpholin-4-ium-4-ylmethyl)phenyl]amino]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-4-methyl-8-[[4-(morpholin-4-ium-4-ylmethyl)anilino]methyl]chromen-2-one CAS Name: 7-hydroxy-4-methyl-8-[[4-(4-morpholin-4-iumylmethyl)anilino]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-methyl-8-[[4-(morpholin-4-ium-4-ylmethyl)anilino]methyl]chromen-2-one Traditional Name: 7-hydroxy-4-methyl-8-[[4-(morpholin-4-ium-4-ylmethyl)anilino]methyl]coumarin Formula: C22H25N2O4+ MolecularWeight: 381.4449

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2CNC3=CC=C(C=C3)C[NH+]4CCOCC4)O

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2CNC3=CC=C(C=C3)C[NH+]4CCOCC4)O

InChI

InChI=1S/C22H24N2O4/c1-15-12-21(26)28-22-18(15)6-7-20(25)19(22)13-23-17-4-2-16(3-5-17)14-24-8-10-27-11-9-24/h2-7,12,23,25H,8-11,13-14H2,1H3/p+1