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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl-[(S)-(4-methylphenyl)-phenyl-methyl]azanium Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl-[(S)-phenyl(p-tolyl)methyl]ammonium CAS Name: (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl-[(S)-(4-methylphenyl)-phenylmethyl]ammonium IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl-[(S)-(4-methylphenyl)-phenylmethyl]azanium Traditional Name: (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl-[(S)-phenyl(p-tolyl)methyl]ammonium Formula: C25H23ClNO2+ MolecularWeight: 404.90862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CC=C2)[NH2+]CC3=CC(=O)OC4=CC(=C(C=C34)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C2=CC=CC=C2)[NH2+]CC3=CC(=O)OC4=CC(=C(C=C34)Cl)C

InChI

InChI=1S/C25H22ClNO2/c1-16-8-10-19(11-9-16)25(18-6-4-3-5-7-18)27-15-20-13-24(28)29-23-12-17(2)22(26)14-21(20)23/h3-14,25,27H,15H2,1-2H3/p+1/t25-/m0/s1