2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]ethanamide

Systemtic Name: 2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]ethanamide Openeye Name: 2-(1-amino-4-phenyl-imidazol-2-yl)sulfanyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide CAS Name: 2-[(1-amino-4-phenyl-2-imidazolyl)thio]-N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]acetamide IUPAC Name: 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide Traditional Name: 2-[(1-amino-4-phenyl-imidazol-2-yl)thio]-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide Formula: C22H32N5O2S+ MolecularWeight: 430.58678

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)CSC2=NC(=CN2N)C3=CC=CC=C3)[NH+]4CCOCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)CSC2=NC(=CN2N)C3=CC=CC=C3)[NH+]4CCOCC4

InChI

InChI=1S/C22H31N5O2S/c23-27-15-19(18-7-3-1-4-8-18)25-21(27)30-16-20(28)24-17-22(9-5-2-6-10-22)26-11-13-29-14-12-26/h1,3-4,7-8,15H,2,5-6,9-14,16-17,23H2,(H,24,28)/p+1