[2-butylimino-5-hexoxy-3-(1-phenoxypropan-2-yl)-1,3-benzothiazol-6-yl]iminoazanium

Systemtic Name: [2-butylimino-5-hexoxy-3-(1-phenoxypropan-2-yl)-1,3-benzothiazol-6-yl]iminoazanium Openeye Name: [2-butylimino-5-hexoxy-3-(1-methyl-2-phenoxy-ethyl)-1,3-benzothiazol-6-yl]iminoammonium CAS Name: [2-butylimino-5-hexoxy-3-(1-phenoxypropan-2-yl)-1,3-benzothiazol-6-yl]iminoammonium IUPAC Name: [2-butylimino-5-hexoxy-3-(1-phenoxypropan-2-yl)-1,3-benzothiazol-6-yl]iminoazanium Traditional Name: [2-butylimino-5-hexoxy-3-(1-methyl-2-phenoxy-ethyl)-1,3-benzothiazol-6-yl]iminoammonium Formula: C26H37N4O2S+ MolecularWeight: 469.66258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC2=C(C=C1N=[NH2+])SC(=NCCCC)N2C(C)COC3=CC=CC=C3

Isomeric SMILES

CCCCCCOC1=CC2=C(C=C1N=[NH2+])SC(=NCCCC)N2C(C)COC3=CC=CC=C3

InChI

InChI=1S/C26H36N4O2S/c1-4-6-8-12-16-31-24-18-23-25(17-22(24)29-27)33-26(28-15-7-5-2)30(23)20(3)19-32-21-13-10-9-11-14-21/h9-11,13-14,17-18,20,27H,4-8,12,15-16,19H2,1-3H3/p+1