[2-butylimino-5-octoxy-3-(phenylmethyl)-1,3-benzothiazol-6-yl]iminoazanium

Systemtic Name: [2-butylimino-5-octoxy-3-(phenylmethyl)-1,3-benzothiazol-6-yl]iminoazanium Openeye Name: (3-benzyl-2-butylimino-5-octoxy-1,3-benzothiazol-6-yl)iminoammonium CAS Name: [2-butylimino-5-octoxy-3-(phenylmethyl)-1,3-benzothiazol-6-yl]iminoammonium IUPAC Name: (3-benzyl-2-butylimino-5-octoxy-1,3-benzothiazol-6-yl)iminoazanium Traditional Name: (3-benzyl-2-butylimino-5-octoxy-1,3-benzothiazol-6-yl)iminoammonium Formula: C26H37N4OS+ MolecularWeight: 453.66318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC2=C(C=C1N=[NH2+])SC(=NCCCC)N2CC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCOC1=CC2=C(C=C1N=[NH2+])SC(=NCCCC)N2CC3=CC=CC=C3

InChI

InChI=1S/C26H36N4OS/c1-3-5-7-8-9-13-17-31-24-19-23-25(18-22(24)29-27)32-26(28-16-6-4-2)30(23)20-21-14-11-10-12-15-21/h10-12,14-15,18-19,27H,3-9,13,16-17,20H2,1-2H3/p+1