N-[2-[[(3S)-3-(4-chloranyl-2-methyl-phenyl)carbonylpiperidin-1-ium-1-yl]methyl]quinolin-6-yl]ethanamide

Systemtic Name: N-[2-[[(3S)-3-(4-chloranyl-2-methyl-phenyl)carbonylpiperidin-1-ium-1-yl]methyl]quinolin-6-yl]ethanamide Openeye Name: N-[2-[[(3S)-3-(4-chloro-2-methyl-benzoyl)piperidin-1-ium-1-yl]methyl]-6-quinolyl]acetamide CAS Name: N-[2-[[(3S)-3-[(4-chloro-2-methylphenyl)-oxomethyl]-1-piperidin-1-iumyl]methyl]-6-quinolinyl]acetamide IUPAC Name: N-[2-[[(3S)-3-(4-chloro-2-methylbenzoyl)piperidin-1-ium-1-yl]methyl]quinolin-6-yl]acetamide Traditional Name: N-[2-[[(3S)-3-(4-chloro-2-methyl-benzoyl)piperidin-1-ium-1-yl]methyl]-6-quinolyl]acetamide Formula: C25H27ClN3O2+ MolecularWeight: 436.95378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)C(=O)C2CCC[NH+](C2)CC3=NC4=C(C=C3)C=C(C=C4)NC(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)C(=O)[C@H]2CCC[NH+](C2)CC3=NC4=C(C=C3)C=C(C=C4)NC(=O)C

InChI

InChI=1S/C25H26ClN3O2/c1-16-12-20(26)6-9-23(16)25(31)19-4-3-11-29(14-19)15-22-7-5-18-13-21(27-17(2)30)8-10-24(18)28-22/h5-10,12-13,19H,3-4,11,14-15H2,1-2H3,(H,27,30)/p+1/t19-/m0/s1