N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]quinoline-5-carboxamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]quinoline-5-carboxamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]quinoline-5-carboxamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-5-quinolinecarboxamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]quinoline-5-carboxamide Traditional Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]quinoline-5-carboxamide Formula: C24H28N3O2+ MolecularWeight: 390.49802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=C3C=CC=NC3=CC=C2)[NH+]4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=C3C=CC=NC3=CC=C2)[NH+]4CCCCC4

InChI

InChI=1S/C24H27N3O2/c1-29-19-12-10-18(11-13-19)23(27-15-3-2-4-16-27)17-26-24(28)21-7-5-9-22-20(21)8-6-14-25-22/h5-14,23H,2-4,15-17H2,1H3,(H,26,28)/p+1/t23-/m0/s1