(2-methyl-2-morpholin-4-ium-4-yl-propyl)-[(3-oxidanylidenebenzo[f]chromen-1-yl)methyl]azanium

Systemtic Name: (2-methyl-2-morpholin-4-ium-4-yl-propyl)-[(3-oxidanylidenebenzo[f]chromen-1-yl)methyl]azanium Openeye Name: (2-methyl-2-morpholin-4-ium-4-yl-propyl)-[(3-oxobenzo[f]chromen-1-yl)methyl]ammonium CAS Name: [2-methyl-2-(4-morpholin-4-iumyl)propyl]-[(3-oxo-1-benzo[f][1]benzopyranyl)methyl]ammonium IUPAC Name: (2-methyl-2-morpholin-4-ium-4-ylpropyl)-[(3-oxobenzo[f]chromen-1-yl)methyl]azanium Traditional Name: (3-ketobenzo[f]chromen-1-yl)methyl-(2-methyl-2-morpholin-4-ium-4-yl-propyl)ammonium Formula: C22H28N2O3+2 MolecularWeight: 368.46932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C[NH2+]CC1=CC(=O)OC2=C1C3=CC=CC=C3C=C2)[NH+]4CCOCC4

Isomeric SMILES

CC(C)(C[NH2+]CC1=CC(=O)OC2=C1C3=CC=CC=C3C=C2)[NH+]4CCOCC4

InChI

InChI=1S/C22H26N2O3/c1-22(2,24-9-11-26-12-10-24)15-23-14-17-13-20(25)27-19-8-7-16-5-3-4-6-18(16)21(17)19/h3-8,13,23H,9-12,14-15H2,1-2H3/p+2