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3-[1,3-benzothiazol-2-yl-(2,5-dimethylphenyl)carbonyl-amino]propyl-dimethyl-azanium

3-[1,3-benzothiazol-2-yl-(2,5-dimethylphenyl)carbonyl-amino]propyl-dimethyl-azanium

Systemtic Name:3-[1,3-benzothiazol-2-yl-(2,5-dimethylphenyl)carbonyl-amino]propyl-dimethyl-azanium
Openeye Name:3-[1,3-benzothiazol-2-yl-(2,5-dimethylbenzoyl)amino]propyl-dimethyl-ammonium
CAS Name:3-[1,3-benzothiazol-2-yl-[(2,5-dimethylphenyl)-oxomethyl]amino]propyl-dimethylammonium
IUPAC Name:3-[1,3-benzothiazol-2-yl-(2,5-dimethylbenzoyl)amino]propyl-dimethylazanium
Traditional Name:3-[1,3-benzothiazol-2-yl-(2,5-dimethylbenzoyl)amino]propyl-dimethyl-ammonium
Formula: C21H26N3OS+
MolecularWeight: 368.51564
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)N(CCC[NH+](C)C)C2=NC3=CC=CC=C3S2


Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)N(CCC[NH+](C)C)C2=NC3=CC=CC=C3S2


InChI

InChI=1S/C21H25N3OS/c1-15-10-11-16(2)17(14-15)20(25)24(13-7-12-23(3)4)21-22-18-8-5-6-9-19(18)26-21/h5-6,8-11,14H,7,12-13H2,1-4H3/p+1


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