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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl-[(2R)-4-phenylbutan-2-yl]azanium Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl-[(1R)-1-methyl-3-phenyl-propyl]ammonium CAS Name: (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl-[(2R)-4-phenylbutan-2-yl]ammonium IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl-[(2R)-4-phenylbutan-2-yl]azanium Traditional Name: (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl-[(1R)-1-methyl-3-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(C)CCC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH2+][C@H](C)CCC3=CC=CC=C3)Cl

InChI

InChI=1S/C21H22ClNO2/c1-14-10-20-18(12-19(14)22)17(11-21(24)25-20)13-23-15(2)8-9-16-6-4-3-5-7-16/h3-7,10-12,15,23H,8-9,13H2,1-2H3/p+1/t15-/m1/s1