dimethyl-[(1S)-2-[(3-oxidanylidenebenzo[f]chromen-1-yl)methylazaniumyl]-1-phenyl-ethyl]azanium

Systemtic Name: dimethyl-[(1S)-2-[(3-oxidanylidenebenzo[f]chromen-1-yl)methylazaniumyl]-1-phenyl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-[(3-oxobenzo[f]chromen-1-yl)methylammonio]-1-phenyl-ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[(3-oxo-1-benzo[f][1]benzopyranyl)methylammonio]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[(3-oxobenzo[f]chromen-1-yl)methylazaniumyl]-1-phenylethyl]azanium Traditional Name: [(1S)-2-[(3-ketobenzo[f]chromen-1-yl)methylammonio]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C24H26N2O2+2 MolecularWeight: 374.47544

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(C[NH2+]CC1=CC(=O)OC2=C1C3=CC=CC=C3C=C2)C4=CC=CC=C4

Isomeric SMILES

C[NH+](C)[C@H](C[NH2+]CC1=CC(=O)OC2=C1C3=CC=CC=C3C=C2)C4=CC=CC=C4

InChI

InChI=1S/C24H24N2O2/c1-26(2)21(18-9-4-3-5-10-18)16-25-15-19-14-23(27)28-22-13-12-17-8-6-7-11-20(17)24(19)22/h3-14,21,25H,15-16H2,1-2H3/p+2/t21-/m1/s1