[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-5-hexoxy-1,3-benzothiazol-6-yl]iminoazanium

Systemtic Name: [2-[1,3-bis(oxidanylidene)isoindol-2-yl]-5-hexoxy-1,3-benzothiazol-6-yl]iminoazanium Openeye Name: [2-(1,3-dioxoisoindolin-2-yl)-5-hexoxy-1,3-benzothiazol-6-yl]iminoammonium CAS Name: [2-(1,3-dioxo-2-isoindolyl)-5-hexoxy-1,3-benzothiazol-6-yl]iminoammonium IUPAC Name: [2-(1,3-dioxoisoindol-2-yl)-5-hexoxy-1,3-benzothiazol-6-yl]iminoazanium Traditional Name: (5-hexoxy-2-phthalimido-1,3-benzothiazol-6-yl)iminoammonium Formula: C21H21N4O3S+ MolecularWeight: 409.48144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C2C(=C1)N=C(S2)N3C(=O)C4=CC=CC=C4C3=O)N=[NH2+]

Isomeric SMILES

CCCCCCOC1=C(C=C2C(=C1)N=C(S2)N3C(=O)C4=CC=CC=C4C3=O)N=[NH2+]

InChI

InChI=1S/C21H20N4O3S/c1-2-3-4-7-10-28-17-11-16-18(12-15(17)24-22)29-21(23-16)25-19(26)13-8-5-6-9-14(13)20(25)27/h5-6,8-9,11-12,22H,2-4,7,10H2,1H3/p+1