N-[2-[[(3S)-3-(3-chlorophenyl)carbonylpiperidin-1-ium-1-yl]methyl]quinolin-6-yl]ethanamide

Systemtic Name: N-[2-[[(3S)-3-(3-chlorophenyl)carbonylpiperidin-1-ium-1-yl]methyl]quinolin-6-yl]ethanamide Openeye Name: N-[2-[[(3S)-3-(3-chlorobenzoyl)piperidin-1-ium-1-yl]methyl]-6-quinolyl]acetamide CAS Name: N-[2-[[(3S)-3-[(3-chlorophenyl)-oxomethyl]-1-piperidin-1-iumyl]methyl]-6-quinolinyl]acetamide IUPAC Name: N-[2-[[(3S)-3-(3-chlorobenzoyl)piperidin-1-ium-1-yl]methyl]quinolin-6-yl]acetamide Traditional Name: N-[2-[[(3S)-3-(3-chlorobenzoyl)piperidin-1-ium-1-yl]methyl]-6-quinolyl]acetamide Formula: C24H25ClN3O2+ MolecularWeight: 422.9272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(C=C2)C[NH+]3CCCC(C3)C(=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(C=C2)C[NH+]3CCC[C@@H](C3)C(=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C24H24ClN3O2/c1-16(29)26-21-9-10-23-17(13-21)7-8-22(27-23)15-28-11-3-5-19(14-28)24(30)18-4-2-6-20(25)12-18/h2,4,6-10,12-13,19H,3,5,11,14-15H2,1H3,(H,26,29)/p+1/t19-/m0/s1