3-(2-methyloctadecan-3-yl)-1,3-benzothiazol-3-ium

Systemtic Name: 3-(2-methyloctadecan-3-yl)-1,3-benzothiazol-3-ium Openeye Name: 3-(1-isopropylhexadecyl)-1,3-benzothiazol-3-ium CAS Name: 3-(2-methyloctadecan-3-yl)-1,3-benzothiazol-3-ium IUPAC Name: 3-(2-methyloctadecan-3-yl)-1,3-benzothiazol-3-ium Traditional Name: 3-(1-isopropylhexadecyl)-1,3-benzothiazol-3-ium Formula: C26H44NS+ MolecularWeight: 402.69926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(C(C)C)[N+]1=CSC2=CC=CC=C21

Isomeric SMILES

CCCCCCCCCCCCCCCC(C(C)C)[N+]1=CSC2=CC=CC=C21

InChI

InChI=1S/C26H44NS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24(23(2)3)27-22-28-26-21-18-17-20-25(26)27/h17-18,20-24H,4-16,19H2,1-3H3/q+1