N-(2-ethylphenyl)-2-[4-[(2R)-oxolan-2-yl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-[(2R)-oxolan-2-yl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-[(2R)-tetrahydrofuran-2-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[oxo-[(2R)-2-oxolanyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-[(2R)-tetrahydrofuran-2-carbonyl]piperazin-1-ium-1-yl]acetamide Formula: C19H28N3O3+ MolecularWeight: 346.44392

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3CCCO3

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)[C@H]3CCCO3

InChI

InChI=1S/C19H27N3O3/c1-2-15-6-3-4-7-16(15)20-18(23)14-21-9-11-22(12-10-21)19(24)17-8-5-13-25-17/h3-4,6-7,17H,2,5,8-14H2,1H3,(H,20,23)/p+1/t17-/m1/s1