N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-2-(4-oxidanylpiperidin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-2-(4-oxidanylpiperidin-1-ium-1-yl)ethanamide Openeye Name: 2-(4-hydroxypiperidin-1-ium-1-yl)-N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]acetamide CAS Name: 2-(4-hydroxy-1-piperidin-1-iumyl)-N-[(3S)-1-[(3-methoxyphenyl)methyl]-3-piperidin-1-iumyl]acetamide IUPAC Name: 2-(4-hydroxypiperidin-1-ium-1-yl)-N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]acetamide Traditional Name: 2-(4-hydroxypiperidin-1-ium-1-yl)-N-[(3S)-1-m-anisylpiperidin-1-ium-3-yl]acetamide Formula: C20H33N3O3+2 MolecularWeight: 363.49432

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCCC(C2)NC(=O)C[NH+]3CCC(CC3)O

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CCC[C@@H](C2)NC(=O)C[NH+]3CCC(CC3)O

InChI

InChI=1S/C20H31N3O3/c1-26-19-6-2-4-16(12-19)13-23-9-3-5-17(14-23)21-20(25)15-22-10-7-18(24)8-11-22/h2,4,6,12,17-18,24H,3,5,7-11,13-15H2,1H3,(H,21,25)/p+2/t17-/m0/s1