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

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-[(S)-(4-methylphenyl)-phenyl-methyl]azanium Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl-[(S)-phenyl(p-tolyl)methyl]ammonium CAS Name: (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl-[(S)-(4-methylphenyl)-phenylmethyl]ammonium IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl-[(S)-(4-methylphenyl)-phenylmethyl]azanium Traditional Name: (2-keto-6,7-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=CC(=C(C=C34)C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H25NO2/c1-17-9-11-21(12-10-17)26(20-7-5-4-6-8-20)27-16-22-15-25(28)29-24-14-19(3)18(2)13-23(22)24/h4-15,26-27H,16H2,1-3H3/p+1/t26-/m0/s1