N,N-dimethyl-4-[(E)-2-(3-octadecyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]aniline perchlorate

Systemtic Name: N,N-dimethyl-4-[(E)-2-(3-octadecyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]aniline perchlorate Openeye Name: N,N-dimethyl-4-[(E)-2-(3-octadecyl-1,3-benzothiazol-3-ium-2-yl)vinyl]aniline perchlorate CAS Name: N,N-dimethyl-4-[(E)-2-(3-octadecyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]aniline perchlorate IUPAC Name: N,N-dimethyl-4-[(E)-2-(3-octadecyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]aniline perchlorate Traditional Name: dimethyl-[4-[(E)-2-(3-stearyl-1,3-benzothiazol-3-ium-2-yl)vinyl]phenyl]amine perchlorate Formula: C35H53ClN2O4S MolecularWeight: 633.32432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1=C(SC2=CC=CC=C21)C=CC3=CC=C(C=C3)N(C)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1=C(SC2=CC=CC=C21)/C=C/C3=CC=C(C=C3)N(C)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C35H53N2S.ClHO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-30-37-33-22-19-20-23-34(33)38-35(37)29-26-31-24-27-32(28-25-31)36(2)3;2-1(3,4)5/h19-20,22-29H,4-18,21,30H2,1-3H3;(H,2,3,4,5)/q+1;/p-1