N-ethyl-N-[(1R)-2-phenyl-1-[1-(thiophen-3-ylmethyl)piperidin-1-ium-4-yl]ethyl]oxane-4-carboxamide

Systemtic Name: N-ethyl-N-[(1R)-2-phenyl-1-[1-(thiophen-3-ylmethyl)piperidin-1-ium-4-yl]ethyl]oxane-4-carboxamide Openeye Name: N-ethyl-N-[(1R)-2-phenyl-1-[1-(3-thienylmethyl)piperidin-1-ium-4-yl]ethyl]tetrahydropyran-4-carboxamide CAS Name: N-ethyl-N-[(1R)-2-phenyl-1-[1-(3-thiophenylmethyl)-4-piperidin-1-iumyl]ethyl]-4-oxanecarboxamide IUPAC Name: N-ethyl-N-[(1R)-2-phenyl-1-[1-(thiophen-3-ylmethyl)piperidin-1-ium-4-yl]ethyl]oxane-4-carboxamide Traditional Name: N-ethyl-N-[(1R)-2-phenyl-1-[1-(3-thenyl)piperidin-1-ium-4-yl]ethyl]tetrahydropyran-4-carboxamide Formula: C26H37N2O2S+ MolecularWeight: 441.64918

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(CC1=CC=CC=C1)C2CC[NH+](CC2)CC3=CSC=C3)C(=O)C4CCOCC4

Isomeric SMILES

CCN([C@H](CC1=CC=CC=C1)C2CC[NH+](CC2)CC3=CSC=C3)C(=O)C4CCOCC4

InChI

InChI=1S/C26H36N2O2S/c1-2-28(26(29)24-10-15-30-16-11-24)25(18-21-6-4-3-5-7-21)23-8-13-27(14-9-23)19-22-12-17-31-20-22/h3-7,12,17,20,23-25H,2,8-11,13-16,18-19H2,1H3/p+1/t25-/m1/s1