2-(2-morpholin-4-yl-1,3-thiazol-4-yl)-N-[[1-(phenylmethyl)piperidin-1-ium-4-ylidene]amino]ethanamide

Systemtic Name: 2-(2-morpholin-4-yl-1,3-thiazol-4-yl)-N-[[1-(phenylmethyl)piperidin-1-ium-4-ylidene]amino]ethanamide Openeye Name: N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-2-(2-morpholinothiazol-4-yl)acetamide CAS Name: 2-[2-(4-morpholinyl)-4-thiazolyl]-N-[[1-(phenylmethyl)-4-piperidin-1-iumylidene]amino]acetamide IUPAC Name: N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetamide Traditional Name: N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-2-(2-morpholinothiazol-4-yl)acetamide Formula: C21H28N5O2S+ MolecularWeight: 414.54432

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1=NNC(=O)CC2=CSC(=N2)N3CCOCC3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1=NNC(=O)CC2=CSC(=N2)N3CCOCC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H27N5O2S/c27-20(14-19-16-29-21(22-19)26-10-12-28-13-11-26)24-23-18-6-8-25(9-7-18)15-17-4-2-1-3-5-17/h1-5,16H,6-15H2,(H,24,27)/p+1