1-[1-(3-ethynylphenyl)carbonylpiperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[1-(3-ethynylphenyl)carbonylpiperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[1-(3-ethynylbenzoyl)-4-piperidyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[1-[(3-ethynylphenyl)-oxomethyl]-4-piperidinyl]-N-[[(2R)-2-oxolanyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[1-(3-ethynylbenzoyl)piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[1-(3-ethynylbenzoyl)-4-piperidyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]piperidin-1-ium-4-carboxamide Formula: C25H34N3O3+ MolecularWeight: 424.55576

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)C(=O)N2CCC(CC2)[NH+]3CCC(CC3)C(=O)NCC4CCCO4

Isomeric SMILES

C#CC1=CC(=CC=C1)C(=O)N2CCC(CC2)[NH+]3CCC(CC3)C(=O)NC[C@H]4CCCO4

InChI

InChI=1S/C25H33N3O3/c1-2-19-5-3-6-21(17-19)25(30)28-14-10-22(11-15-28)27-12-8-20(9-13-27)24(29)26-18-23-7-4-16-31-23/h1,3,5-6,17,20,22-23H,4,7-16,18H2,(H,26,29)/p+1/t23-/m1/s1