(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-[(2R)-4-phenylbutan-2-yl]azanium

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-[(2R)-4-phenylbutan-2-yl]azanium Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl-[(1R)-1-methyl-3-phenyl-propyl]ammonium CAS Name: (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl-[(2R)-4-phenylbutan-2-yl]ammonium IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl-[(2R)-4-phenylbutan-2-yl]azanium Traditional Name: (2-keto-6,7-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(C=C2C(=C1)C(=CC(=O)O2)C[NH2+]C(C)CCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH2+][C@H](C)CCC3=CC=CC=C3)C

InChI

InChI=1S/C22H25NO2/c1-15-11-20-19(13-22(24)25-21(20)12-16(15)2)14-23-17(3)9-10-18-7-5-4-6-8-18/h4-8,11-13,17,23H,9-10,14H2,1-3H3/p+1/t17-/m1/s1