3-[1-[(4-acetamidophenyl)methyl]piperidin-1-ium-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide

Systemtic Name: 3-[1-[(4-acetamidophenyl)methyl]piperidin-1-ium-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide Openeye Name: 3-[1-[(4-acetamidophenyl)methyl]piperidin-1-ium-4-yl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]propanamide CAS Name: 3-[1-[(4-acetamidophenyl)methyl]-4-piperidin-1-iumyl]-N-[[(2R)-2-oxolanyl]methyl]propanamide IUPAC Name: 3-[1-[(4-acetamidophenyl)methyl]piperidin-1-ium-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide Traditional Name: 3-[1-(4-acetamidobenzyl)piperidin-1-ium-4-yl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]propionamide Formula: C22H34N3O3+ MolecularWeight: 388.52366

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C[NH+]2CCC(CC2)CCC(=O)NCC3CCCO3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C[NH+]2CCC(CC2)CCC(=O)NC[C@H]3CCCO3

InChI

InChI=1S/C22H33N3O3/c1-17(26)24-20-7-4-19(5-8-20)16-25-12-10-18(11-13-25)6-9-22(27)23-15-21-3-2-14-28-21/h4-5,7-8,18,21H,2-3,6,9-16H2,1H3,(H,23,27)(H,24,26)/p+1/t21-/m1/s1