(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-[(S)-(4-methylphenyl)-phenyl-methyl]azanium

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-[(S)-(4-methylphenyl)-phenyl-methyl]azanium Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl-[(S)-phenyl(p-tolyl)methyl]ammonium CAS Name: (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl-[(S)-(4-methylphenyl)-phenylmethyl]ammonium IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl-[(S)-(4-methylphenyl)-phenylmethyl]azanium Traditional Name: (2-keto-7,8-dimethyl-chromen-4-yl)methyl-[(S)-phenyl(p-tolyl)methyl]ammonium Formula: C26H26NO2+ MolecularWeight: 384.49014

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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=C3C=CC(=C4C)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C2=CC=CC=C2)[NH2+]CC3=CC(=O)OC4=C3C=CC(=C4C)C

InChI

InChI=1S/C26H25NO2/c1-17-9-12-21(13-10-17)25(20-7-5-4-6-8-20)27-16-22-15-24(28)29-26-19(3)18(2)11-14-23(22)26/h4-15,25,27H,16H2,1-3H3/p+1/t25-/m0/s1