[1-[[2-(2-benzamido-1,3-thiazol-4-yl)ethanoylamino]methyl]cycloheptyl]-dimethyl-azanium

Systemtic Name: [1-[[2-(2-benzamido-1,3-thiazol-4-yl)ethanoylamino]methyl]cycloheptyl]-dimethyl-azanium Openeye Name: [1-[[[2-(2-benzamidothiazol-4-yl)acetyl]amino]methyl]cycloheptyl]-dimethyl-ammonium CAS Name: [1-[[[2-(2-benzamido-4-thiazolyl)-1-oxoethyl]amino]methyl]cycloheptyl]-dimethylammonium IUPAC Name: [1-[[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]methyl]cycloheptyl]-dimethylazanium Traditional Name: [1-[[[2-(2-benzamidothiazol-4-yl)acetyl]amino]methyl]cycloheptyl]-dimethyl-ammonium Formula: C22H31N4O2S+ MolecularWeight: 415.57214

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C1(CCCCCC1)CNC(=O)CC2=CSC(=N2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)C1(CCCCCC1)CNC(=O)CC2=CSC(=N2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H30N4O2S/c1-26(2)22(12-8-3-4-9-13-22)16-23-19(27)14-18-15-29-21(24-18)25-20(28)17-10-6-5-7-11-17/h5-7,10-11,15H,3-4,8-9,12-14,16H2,1-2H3,(H,23,27)(H,24,25,28)/p+1