(3R)-1-[(2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[(2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[(2-chloro-7,8-dimethyl-3-quinolyl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[(2-chloro-7,8-dimethyl-3-quinolinyl)methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[(2-chloro-7,8-dimethyl-3-quinolyl)methyl]piperidin-1-ium-3-carboxamide Formula: C18H23ClN3O+ MolecularWeight: 332.84772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C=C2C=C1)C[NH+]3CCCC(C3)C(=O)N)Cl)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)C[NH+]3CCC[C@H](C3)C(=O)N)Cl)C

InChI

InChI=1S/C18H22ClN3O/c1-11-5-6-13-8-15(17(19)21-16(13)12(11)2)10-22-7-3-4-14(9-22)18(20)23/h5-6,8,14H,3-4,7,9-10H2,1-2H3,(H2,20,23)/p+1/t14-/m1/s1