N-[2-[[(3S)-3-(4-methoxy-3,5-dimethyl-phenyl)carbonylpiperidin-1-ium-1-yl]methyl]quinolin-5-yl]ethanamide

Systemtic Name: N-[2-[[(3S)-3-(4-methoxy-3,5-dimethyl-phenyl)carbonylpiperidin-1-ium-1-yl]methyl]quinolin-5-yl]ethanamide Openeye Name: N-[2-[[(3S)-3-(4-methoxy-3,5-dimethyl-benzoyl)piperidin-1-ium-1-yl]methyl]-5-quinolyl]acetamide CAS Name: N-[2-[[(3S)-3-[(4-methoxy-3,5-dimethylphenyl)-oxomethyl]-1-piperidin-1-iumyl]methyl]-5-quinolinyl]acetamide IUPAC Name: N-[2-[[(3S)-3-(4-methoxy-3,5-dimethylbenzoyl)piperidin-1-ium-1-yl]methyl]quinolin-5-yl]acetamide Traditional Name: N-[2-[[(3S)-3-(4-methoxy-3,5-dimethyl-benzoyl)piperidin-1-ium-1-yl]methyl]-5-quinolyl]acetamide Formula: C27H32N3O3+ MolecularWeight: 446.56128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC)C)C(=O)C2CCC[NH+](C2)CC3=NC4=C(C=C3)C(=CC=C4)NC(=O)C

Isomeric SMILES

CC1=CC(=CC(=C1OC)C)C(=O)[C@H]2CCC[NH+](C2)CC3=NC4=C(C=C3)C(=CC=C4)NC(=O)C

InChI

InChI=1S/C27H31N3O3/c1-17-13-21(14-18(2)27(17)33-4)26(32)20-7-6-12-30(15-20)16-22-10-11-23-24(28-19(3)31)8-5-9-25(23)29-22/h5,8-11,13-14,20H,6-7,12,15-16H2,1-4H3,(H,28,31)/p+1/t20-/m0/s1