[2-butylimino-4-chloranyl-7-octoxy-3-(phenylmethyl)-1,3-benzothiazol-6-yl]iminoazanium

Systemtic Name: [2-butylimino-4-chloranyl-7-octoxy-3-(phenylmethyl)-1,3-benzothiazol-6-yl]iminoazanium Openeye Name: (3-benzyl-2-butylimino-4-chloro-7-octoxy-1,3-benzothiazol-6-yl)iminoammonium CAS Name: [2-butylimino-4-chloro-7-octoxy-3-(phenylmethyl)-1,3-benzothiazol-6-yl]iminoammonium IUPAC Name: (3-benzyl-2-butylimino-4-chloro-7-octoxy-1,3-benzothiazol-6-yl)iminoazanium Traditional Name: (3-benzyl-2-butylimino-4-chloro-7-octoxy-1,3-benzothiazol-6-yl)iminoammonium Formula: C26H36ClN4OS+ MolecularWeight: 488.10824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C2C(=C(C=C1N=[NH2+])Cl)N(C(=NCCCC)S2)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCOC1=C2C(=C(C=C1N=[NH2+])Cl)N(C(=NCCCC)S2)CC3=CC=CC=C3

InChI

InChI=1S/C26H35ClN4OS/c1-3-5-7-8-9-13-17-32-24-22(30-28)18-21(27)23-25(24)33-26(29-16-6-4-2)31(23)19-20-14-11-10-12-15-20/h10-12,14-15,18,28H,3-9,13,16-17,19H2,1-2H3/p+1