3-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl-(6-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl-(6-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(3-chlorobenzothiophene-2-carbonyl)-(6-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]-(6-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[(3-chloro-1-benzothiophene-2-carbonyl)-(6-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(3-chlorobenzothiophene-2-carbonyl)-(6-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=CC2=C(C=C1)N=C(S2)N(CCC[NH+](C)C)C(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N(CCC[NH+](C)C)C(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

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