(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl-[(1R)-1-phenylbutyl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)[NH2+]CC2=CC(=O)OC3=CC(=C(C=C23)Cl)C

Isomeric SMILES

CCC[C@H](C1=CC=CC=C1)[NH2+]CC2=CC(=O)OC3=CC(=C(C=C23)Cl)C

InChI

InChI=1S/C21H22ClNO2/c1-3-7-19(15-8-5-4-6-9-15)23-13-16-11-21(24)25-20-10-14(2)18(22)12-17(16)20/h4-6,8-12,19,23H,3,7,13H2,1-2H3/p+1/t19-/m1/s1