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

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

Systemtic Name:[2-azanylidene-5-octoxy-3-(phenylmethyl)-1,3-benzothiazol-6-yl]iminoazanium
Openeye Name:(3-benzyl-2-imino-5-octoxy-1,3-benzothiazol-6-yl)iminoammonium
CAS Name:[2-imino-5-octoxy-3-(phenylmethyl)-1,3-benzothiazol-6-yl]iminoammonium
IUPAC Name:(3-benzyl-2-imino-5-octoxy-1,3-benzothiazol-6-yl)iminoazanium
Traditional Name:(3-benzyl-2-imino-5-octoxy-1,3-benzothiazol-6-yl)iminoammonium
Formula: C22H29N4OS+
MolecularWeight: 397.55686
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C22H28N4OS/c1-2-3-4-5-6-10-13-27-20-15-19-21(14-18(20)25-24)28-22(23)26(19)16-17-11-8-7-9-12-17/h7-9,11-12,14-15,23-24H,2-6,10,13,16H2,1H3/p+1


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