(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenyl-propan-2-yl]azanium

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenyl-propan-2-yl]azanium Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl-[(1R,2S)-1-methyl-2-morpholin-4-ium-4-yl-2-phenyl-ethyl]ammonium CAS Name: (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl-[(1S,2R)-1-(4-morpholin-4-iumyl)-1-phenylpropan-2-yl]ammonium IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]azanium Traditional Name: (2-keto-7,8-dimethyl-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:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH2+]C(C)C(C3=CC=CC=C3)[NH+]4CCOCC4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH2+][C@H](C)[C@H](C3=CC=CC=C3)[NH+]4CCOCC4)C

InChI

InChI=1S/C25H30N2O3/c1-17-9-10-22-21(15-23(28)30-25(22)18(17)2)16-26-19(3)24(20-7-5-4-6-8-20)27-11-13-29-14-12-27/h4-10,15,19,24,26H,11-14,16H2,1-3H3/p+2/t19-,24-/m1/s1