(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-[(2R)-4-phenylbutan-2-yl]azanium

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-[(2R)-4-phenylbutan-2-yl]azanium Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl-[(1R)-1-methyl-3-phenyl-propyl]ammonium CAS Name: (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl-[(2R)-4-phenylbutan-2-yl]ammonium IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl-[(2R)-4-phenylbutan-2-yl]azanium Traditional Name: (2-keto-7,8-dimethyl-chromen-4-yl)methyl-[(1R)-1-methyl-3-phenyl-propyl]ammonium Formula: C22H26NO2+ MolecularWeight: 336.44734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH2+]C(C)CCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH2+][C@H](C)CCC3=CC=CC=C3)C

InChI

InChI=1S/C22H25NO2/c1-15-9-12-20-19(13-21(24)25-22(20)17(15)3)14-23-16(2)10-11-18-7-5-4-6-8-18/h4-9,12-13,16,23H,10-11,14H2,1-3H3/p+1/t16-/m1/s1