(3S)-1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-N-(4-propan-2-ylphenyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-N-(4-propan-2-ylphenyl)piperidin-1-ium-3-amine Openeye Name: (3S)-N-(4-isopropylphenyl)-1-[(2-morpholinothiazol-5-yl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-1-[[2-(4-morpholinyl)-5-thiazolyl]methyl]-N-(4-propan-2-ylphenyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-N-(4-propan-2-ylphenyl)piperidin-1-ium-3-amine Traditional Name: [(3S)-1-[(2-morpholinothiazol-5-yl)methyl]piperidin-1-ium-3-yl]-p-cumenyl-amine Formula: C22H33N4OS+ MolecularWeight: 401.58862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC2CCC[NH+](C2)CC3=CN=C(S3)N4CCOCC4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N[C@H]2CCC[NH+](C2)CC3=CN=C(S3)N4CCOCC4

InChI

InChI=1S/C22H32N4OS/c1-17(2)18-5-7-19(8-6-18)24-20-4-3-9-25(15-20)16-21-14-23-22(28-21)26-10-12-27-13-11-26/h5-8,14,17,20,24H,3-4,9-13,15-16H2,1-2H3/p+1/t20-/m0/s1