(2S)-2-(4-methyl-1,3-thiazol-2-yl)-3-[(1-morpholin-4-ium-4-ylcyclohexyl)methylimino]propanenitrile

Systemtic Name: (2S)-2-(4-methyl-1,3-thiazol-2-yl)-3-[(1-morpholin-4-ium-4-ylcyclohexyl)methylimino]propanenitrile Openeye Name: (2S)-2-(4-methylthiazol-2-yl)-3-[(1-morpholin-4-ium-4-ylcyclohexyl)methylimino]propanenitrile CAS Name: (2S)-2-(4-methyl-2-thiazolyl)-3-[[1-(4-morpholin-4-iumyl)cyclohexyl]methylimino]propanenitrile IUPAC Name: (2S)-2-(4-methyl-1,3-thiazol-2-yl)-3-[(1-morpholin-4-ium-4-ylcyclohexyl)methylimino]propanenitrile Traditional Name: (2S)-2-(4-methylthiazol-2-yl)-3-[(1-morpholin-4-ium-4-ylcyclohexyl)methylimino]propionitrile Formula: C18H27N4OS+ MolecularWeight: 347.49818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C=NCC2(CCCCC2)[NH+]3CCOCC3)C#N

Isomeric SMILES

CC1=CSC(=N1)[C@@H](C=NCC2(CCCCC2)[NH+]3CCOCC3)C#N

InChI

InChI=1S/C18H26N4OS/c1-15-13-24-17(21-15)16(11-19)12-20-14-18(5-3-2-4-6-18)22-7-9-23-10-8-22/h12-13,16H,2-10,14H2,1H3/p+1/t16-/m1/s1