N-(2,6-dimethylphenyl)-2-[4-[[(2R)-oxan-2-yl]methyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[[(2R)-oxan-2-yl]methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-[[(2R)-tetrahydropyran-2-yl]methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[[(2R)-2-oxanyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[[(2R)-oxan-2-yl]methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-[[(2R)-tetrahydropyran-2-yl]methyl]piperazin-1-ium-1-yl]acetamide Formula: C20H32N3O2+ MolecularWeight: 346.48698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)CC3CCCCO3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C[C@H]3CCCCO3

InChI

InChI=1S/C20H31N3O2/c1-16-6-5-7-17(2)20(16)21-19(24)15-23-11-9-22(10-12-23)14-18-8-3-4-13-25-18/h5-7,18H,3-4,8-15H2,1-2H3,(H,21,24)/p+1/t18-/m1/s1