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

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-[(2S)-2-phenylbutyl]azanium Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl-[(2S)-2-phenylbutyl]ammonium CAS Name: (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl-[(2S)-2-phenylbutyl]ammonium IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl-[(2S)-2-phenylbutyl]azanium Traditional Name: (2-keto-6,7-dimethyl-chromen-4-yl)methyl-[(2S)-2-phenylbutyl]ammonium Formula: C22H26NO2+ MolecularWeight: 336.44734

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C[NH2+]CC1=CC(=O)OC2=CC(=C(C=C12)C)C)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](C[NH2+]CC1=CC(=O)OC2=CC(=C(C=C12)C)C)C3=CC=CC=C3

InChI

InChI=1S/C22H25NO2/c1-4-17(18-8-6-5-7-9-18)13-23-14-19-12-22(24)25-21-11-16(3)15(2)10-20(19)21/h5-12,17,23H,4,13-14H2,1-3H3/p+1/t17-/m1/s1