4-[2-[2-(aminomethyl)-3-methyl-1-benzofuran-6-yl]-1,3-bis(oxidanylidene)isoindol-2-ium-2-yl]benzenecarbonitrile

Systemtic Name: 4-[2-[2-(aminomethyl)-3-methyl-1-benzofuran-6-yl]-1,3-bis(oxidanylidene)isoindol-2-ium-2-yl]benzenecarbonitrile Openeye Name: 4-[2-[2-(aminomethyl)-3-methyl-benzofuran-6-yl]-1,3-dioxo-isoindolin-2-ium-2-yl]benzonitrile CAS Name: 4-[2-[2-(aminomethyl)-3-methyl-6-benzofuranyl]-1,3-dioxo-2-isoindol-2-iumyl]benzonitrile IUPAC Name: 4-[2-[2-(aminomethyl)-3-methyl-1-benzofuran-6-yl]-1,3-dioxoisoindol-2-ium-2-yl]benzonitrile Traditional Name: 4-[2-[2-(aminomethyl)-3-methyl-benzofuran-6-yl]-1,3-diketo-isoindolin-2-ium-2-yl]benzonitrile Formula: C25H18N3O3+ MolecularWeight: 408.42872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=CC(=C2)[N+]3(C(=O)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)C#N)CN

Isomeric SMILES

CC1=C(OC2=C1C=CC(=C2)[N+]3(C(=O)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)C#N)CN

InChI

InChI=1S/C25H18N3O3/c1-15-19-11-10-18(12-22(19)31-23(15)14-27)28(17-8-6-16(13-26)7-9-17)24(29)20-4-2-3-5-21(20)25(28)30/h2-12H,14,27H2,1H3/q+1