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

Systemtic Name: N-[2-[[(3S)-3-(4-methoxy-2-methyl-phenyl)carbonylpiperidin-1-ium-1-yl]methyl]quinolin-5-yl]ethanamide Openeye Name: N-[2-[[(3S)-3-(4-methoxy-2-methyl-benzoyl)piperidin-1-ium-1-yl]methyl]-5-quinolyl]acetamide CAS Name: N-[2-[[(3S)-3-[(4-methoxy-2-methylphenyl)-oxomethyl]-1-piperidin-1-iumyl]methyl]-5-quinolinyl]acetamide IUPAC Name: N-[2-[[(3S)-3-(4-methoxy-2-methylbenzoyl)piperidin-1-ium-1-yl]methyl]quinolin-5-yl]acetamide Traditional Name: N-[2-[[(3S)-3-(4-methoxy-2-methyl-benzoyl)piperidin-1-ium-1-yl]methyl]-5-quinolyl]acetamide Formula: C26H30N3O3+ MolecularWeight: 432.5347

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O3/c1-17-14-21(32-3)10-12-22(17)26(31)19-6-5-13-29(15-19)16-20-9-11-23-24(27-18(2)30)7-4-8-25(23)28-20/h4,7-12,14,19H,5-6,13,15-16H2,1-3H3,(H,27,30)/p+1/t19-/m0/s1