N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-2-oxidanylidene-3,4-dihydro-1H-quinoline-6-carboxamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-2-oxidanylidene-3,4-dihydro-1H-quinoline-6-carboxamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide Traditional Name: 2-keto-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3,4-dihydro-1H-quinoline-6-carboxamide Formula: C24H30N3O3+ MolecularWeight: 408.5133

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CC3=C(C=C2)NC(=O)CC3)[NH+]4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC3=C(C=C2)NC(=O)CC3)[NH+]4CCCCC4

InChI

InChI=1S/C24H29N3O3/c1-30-20-9-5-17(6-10-20)22(27-13-3-2-4-14-27)16-25-24(29)19-7-11-21-18(15-19)8-12-23(28)26-21/h5-7,9-11,15,22H,2-4,8,12-14,16H2,1H3,(H,25,29)(H,26,28)/p+1/t22-/m0/s1