dimethyl-[1-[[[4-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]carbonylamino]methyl]cycloheptyl]azanium

Systemtic Name: dimethyl-[1-[[[4-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]carbonylamino]methyl]cycloheptyl]azanium Openeye Name: dimethyl-[1-[[[4-(thiazol-4-ylmethylsulfanyl)benzoyl]amino]methyl]cycloheptyl]ammonium CAS Name: dimethyl-[1-[[[oxo-[4-(4-thiazolylmethylthio)phenyl]methyl]amino]methyl]cycloheptyl]ammonium IUPAC Name: dimethyl-[1-[[[4-(1,3-thiazol-4-ylmethylsulfanyl)benzoyl]amino]methyl]cycloheptyl]azanium Traditional Name: dimethyl-[1-[[[4-(thiazol-4-ylmethylthio)benzoyl]amino]methyl]cycloheptyl]ammonium Formula: C21H30N3OS2+ MolecularWeight: 404.6124

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C1(CCCCCC1)CNC(=O)C2=CC=C(C=C2)SCC3=CSC=N3

Isomeric SMILES

C[NH+](C)C1(CCCCCC1)CNC(=O)C2=CC=C(C=C2)SCC3=CSC=N3

InChI

InChI=1S/C21H29N3OS2/c1-24(2)21(11-5-3-4-6-12-21)15-22-20(25)17-7-9-19(10-8-17)27-14-18-13-26-16-23-18/h7-10,13,16H,3-6,11-12,14-15H2,1-2H3,(H,22,25)/p+1