(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenyl-propan-2-yl]azanium

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenyl-propan-2-yl]azanium Openeye Name: (7-ethyl-2-oxo-chromen-4-yl)methyl-[(1R,2S)-1-methyl-2-morpholin-4-ium-4-yl-2-phenyl-ethyl]ammonium CAS Name: (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl-[(1S,2R)-1-(4-morpholin-4-iumyl)-1-phenylpropan-2-yl]ammonium IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]azanium Traditional Name: (7-ethyl-2-keto-chromen-4-yl)methyl-[(1R,2S)-1-methyl-2-morpholin-4-ium-4-yl-2-phenyl-ethyl]ammonium Formula: C25H32N2O3+2 MolecularWeight: 408.53318

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH2+]C(C)C(C3=CC=CC=C3)[NH+]4CCOCC4

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH2+][C@H](C)[C@H](C3=CC=CC=C3)[NH+]4CCOCC4

InChI

InChI=1S/C25H30N2O3/c1-3-19-9-10-22-21(16-24(28)30-23(22)15-19)17-26-18(2)25(20-7-5-4-6-8-20)27-11-13-29-14-12-27/h4-10,15-16,18,25-26H,3,11-14,17H2,1-2H3/p+2/t18-,25-/m1/s1