(2S)-2-(3-azanyl-1H-isoindol-2-ium-2-yl)-1,2-bis(4-methoxyphenyl)ethanone

Systemtic Name: (2S)-2-(3-azanyl-1H-isoindol-2-ium-2-yl)-1,2-bis(4-methoxyphenyl)ethanone Openeye Name: (2S)-2-(3-amino-1H-isoindol-2-ium-2-yl)-1,2-bis(4-methoxyphenyl)ethanone CAS Name: (2S)-2-(3-amino-1H-isoindol-2-ium-2-yl)-1,2-bis(4-methoxyphenyl)ethanone IUPAC Name: (2S)-2-(3-amino-1H-isoindol-2-ium-2-yl)-1,2-bis(4-methoxyphenyl)ethanone Traditional Name: (2S)-2-(3-amino-1H-isoindol-2-ium-2-yl)-1,2-bis(4-methoxyphenyl)ethanone Formula: C24H23N2O3+ MolecularWeight: 387.45102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)OC)[N+]3=C(C4=CC=CC=C4C3)N

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H](C(=O)C2=CC=C(C=C2)OC)[N+]3=C(C4=CC=CC=C4C3)N

InChI

InChI=1S/C24H22N2O3/c1-28-19-11-7-16(8-12-19)22(23(27)17-9-13-20(29-2)14-10-17)26-15-18-5-3-4-6-21(18)24(26)25/h3-14,22,25H,15H2,1-2H3/p+1/t22-/m0/s1