[1-[[[5-(1,3-benzothiazol-2-yl)thiophen-2-yl]carbonylamino]methyl]cyclohexyl]-dimethyl-azanium

Systemtic Name: [1-[[[5-(1,3-benzothiazol-2-yl)thiophen-2-yl]carbonylamino]methyl]cyclohexyl]-dimethyl-azanium Openeye Name: [1-[[[5-(1,3-benzothiazol-2-yl)thiophene-2-carbonyl]amino]methyl]cyclohexyl]-dimethyl-ammonium CAS Name: [1-[[[[5-(1,3-benzothiazol-2-yl)-2-thiophenyl]-oxomethyl]amino]methyl]cyclohexyl]-dimethylammonium IUPAC Name: [1-[[[5-(1,3-benzothiazol-2-yl)thiophene-2-carbonyl]amino]methyl]cyclohexyl]-dimethylazanium Traditional Name: [1-[[[5-(1,3-benzothiazol-2-yl)thiophene-2-carbonyl]amino]methyl]cyclohexyl]-dimethyl-ammonium Formula: C21H26N3OS2+ MolecularWeight: 400.58064

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C1(CCCCC1)CNC(=O)C2=CC=C(S2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C[NH+](C)C1(CCCCC1)CNC(=O)C2=CC=C(S2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H25N3OS2/c1-24(2)21(12-6-3-7-13-21)14-22-19(25)17-10-11-18(26-17)20-23-15-8-4-5-9-16(15)27-20/h4-5,8-11H,3,6-7,12-14H2,1-2H3,(H,22,25)/p+1