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

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl-[(S)-(4-methylphenyl)-phenyl-methyl]azanium Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl-[(S)-phenyl(p-tolyl)methyl]ammonium CAS Name: (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl-[(S)-(4-methylphenyl)-phenylmethyl]ammonium IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl-[(S)-(4-methylphenyl)-phenylmethyl]azanium Traditional Name: (2-keto-7-methoxy-chromen-4-yl)methyl-[(S)-phenyl(p-tolyl)methyl]ammonium Formula: C25H24NO3+ MolecularWeight: 386.46296

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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(=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C2=CC=CC=C2)[NH2+]CC3=CC(=O)OC4=C3C=CC(=C4)OC

InChI

InChI=1S/C25H23NO3/c1-17-8-10-19(11-9-17)25(18-6-4-3-5-7-18)26-16-20-14-24(27)29-23-15-21(28-2)12-13-22(20)23/h3-15,25-26H,16H2,1-2H3/p+1/t25-/m0/s1