(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl-[(1S)-2-methyl-1-phenyl-propyl]azanium

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl-[(1S)-2-methyl-1-phenyl-propyl]azanium Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl-[(1S)-2-methyl-1-phenyl-propyl]ammonium CAS Name: (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl-[(1S)-2-methyl-1-phenylpropyl]ammonium IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl-[(1S)-2-methyl-1-phenylpropyl]azanium Traditional Name: (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl-[(1S)-2-methyl-1-phenyl-propyl]ammonium Formula: C21H23ClNO2+ MolecularWeight: 356.86582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH2+]C(C3=CC=CC=C3)C(C)C)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH2+][C@H](C3=CC=CC=C3)C(C)C)Cl

InChI

InChI=1S/C21H22ClNO2/c1-13(2)21(15-7-5-4-6-8-15)23-12-16-10-20(24)25-19-9-14(3)18(22)11-17(16)19/h4-11,13,21,23H,12H2,1-3H3/p+1/t21-/m0/s1