4-[(E)-4-(1,3-benzothiazol-3-ium-3-yl)-3-methyl-nonadec-1-enyl]-N,N-dimethyl-aniline perchlorate

Systemtic Name: 4-[(E)-4-(1,3-benzothiazol-3-ium-3-yl)-3-methyl-nonadec-1-enyl]-N,N-dimethyl-aniline perchlorate Openeye Name: 4-[(E)-4-(1,3-benzothiazol-3-ium-3-yl)-3-methyl-nonadec-1-enyl]-N,N-dimethyl-aniline perchlorate CAS Name: 4-[(E)-4-(1,3-benzothiazol-3-ium-3-yl)-3-methylnonadec-1-enyl]-N,N-dimethylaniline perchlorate IUPAC Name: 4-[(E)-4-(1,3-benzothiazol-3-ium-3-yl)-3-methylnonadec-1-enyl]-N,N-dimethylaniline perchlorate Traditional Name: [4-[(E)-4-(1,3-benzothiazol-3-ium-3-yl)-3-methyl-nonadec-1-enyl]phenyl]-dimethyl-amine perchlorate Formula: C35H53ClN2O4S MolecularWeight: 633.32432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(C(C)C=CC1=CC=C(C=C1)N(C)C)[N+]2=CSC3=CC=CC=C32.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCCCCCCCCCCCCCCC(C(C)/C=C/C1=CC=C(C=C1)N(C)C)[N+]2=CSC3=CC=CC=C32.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C35H53N2S.ClHO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-33(37-29-38-35-22-19-18-21-34(35)37)30(2)23-24-31-25-27-32(28-26-31)36(3)4;2-1(3,4)5/h18-19,21-30,33H,5-17,20H2,1-4H3;(H,2,3,4,5)/q+1;/p-1/b24-23+;