3-morpholin-4-ium-4-ylpropyl-[(3-oxidanylidenebenzo[f]chromen-1-yl)methyl]azanium

Systemtic Name: 3-morpholin-4-ium-4-ylpropyl-[(3-oxidanylidenebenzo[f]chromen-1-yl)methyl]azanium Openeye Name: 3-morpholin-4-ium-4-ylpropyl-[(3-oxobenzo[f]chromen-1-yl)methyl]ammonium CAS Name: 3-(4-morpholin-4-iumyl)propyl-[(3-oxo-1-benzo[f][1]benzopyranyl)methyl]ammonium IUPAC Name: 3-morpholin-4-ium-4-ylpropyl-[(3-oxobenzo[f]chromen-1-yl)methyl]azanium Traditional Name: (3-ketobenzo[f]chromen-1-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)ammonium Formula: C21H26N2O3+2 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCC[NH2+]CC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

Isomeric SMILES

C1COCC[NH+]1CCC[NH2+]CC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

InChI

InChI=1S/C21H24N2O3/c24-20-14-17(15-22-8-3-9-23-10-12-25-13-11-23)21-18-5-2-1-4-16(18)6-7-19(21)26-20/h1-2,4-7,14,22H,3,8-13,15H2/p+2