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

Systemtic Name: N-[2-[[(3S)-3-(3,4-dimethoxyphenyl)carbonylpiperidin-1-ium-1-yl]methyl]quinolin-5-yl]ethanamide Openeye Name: N-[2-[[(3S)-3-(3,4-dimethoxybenzoyl)piperidin-1-ium-1-yl]methyl]-5-quinolyl]acetamide CAS Name: N-[2-[[(3S)-3-[(3,4-dimethoxyphenyl)-oxomethyl]-1-piperidin-1-iumyl]methyl]-5-quinolinyl]acetamide IUPAC Name: N-[2-[[(3S)-3-(3,4-dimethoxybenzoyl)piperidin-1-ium-1-yl]methyl]quinolin-5-yl]acetamide Traditional Name: N-[2-[[(3S)-3-veratroylpiperidin-1-ium-1-yl]methyl]-5-quinolyl]acetamide Formula: C26H30N3O4+ MolecularWeight: 448.5341

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC2=C1C=CC(=N2)C[NH+]3CCCC(C3)C(=O)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC(=O)NC1=CC=CC2=C1C=CC(=N2)C[NH+]3CCC[C@@H](C3)C(=O)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C26H29N3O4/c1-17(30)27-22-7-4-8-23-21(22)11-10-20(28-23)16-29-13-5-6-19(15-29)26(31)18-9-12-24(32-2)25(14-18)33-3/h4,7-12,14,19H,5-6,13,15-16H2,1-3H3,(H,27,30)/p+1/t19-/m0/s1