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

Systemtic Name: 1-[1-(2,4-dimethylphenyl)carbonylpiperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[1-(2,4-dimethylbenzoyl)-4-piperidyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[1-[(2,4-dimethylphenyl)-oxomethyl]-4-piperidinyl]-N-[[(2R)-2-oxolanyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[1-(2,4-dimethylbenzoyl)piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[1-(2,4-dimethylbenzoyl)-4-piperidyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]piperidin-1-ium-4-carboxamide Formula: C25H38N3O3+ MolecularWeight: 428.58752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H37N3O3/c1-18-5-6-23(19(2)16-18)25(30)28-13-9-21(10-14-28)27-11-7-20(8-12-27)24(29)26-17-22-4-3-15-31-22/h5-6,16,20-22H,3-4,7-15,17H2,1-2H3,(H,26,29)/p+1/t22-/m1/s1