(3R)-1-[(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[(2-chloro-7-methylsulfanyl-3-quinolyl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[[2-chloro-7-(methylthio)-3-quinolinyl]methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[(2-chloro-7-methylsulfanylquinolin-3-yl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[[2-chloro-7-(methylthio)-3-quinolyl]methyl]piperidin-1-ium-3-carboxamide Formula: C17H21ClN3OS+ MolecularWeight: 350.88614

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)C[NH+]3CCCC(C3)C(=O)N)Cl

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)C[NH+]3CCC[C@H](C3)C(=O)N)Cl

InChI

InChI=1S/C17H20ClN3OS/c1-23-14-5-4-11-7-13(16(18)20-15(11)8-14)10-21-6-2-3-12(9-21)17(19)22/h4-5,7-8,12H,2-3,6,9-10H2,1H3,(H2,19,22)/p+1/t12-/m1/s1