3-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl-(4-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl-(4-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(3-chlorobenzothiophene-2-carbonyl)-(4-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]-(4-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[(3-chloro-1-benzothiophene-2-carbonyl)-(4-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(3-chlorobenzothiophene-2-carbonyl)-(4-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C22H23ClN3OS2+ MolecularWeight: 445.02052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CCC[NH+](C)C)C(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CCC[NH+](C)C)C(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C22H22ClN3OS2/c1-14-8-6-11-17-19(14)24-22(29-17)26(13-7-12-25(2)3)21(27)20-18(23)15-9-4-5-10-16(15)28-20/h4-6,8-11H,7,12-13H2,1-3H3/p+1