N-methyl-N-(oxan-4-ylmethyl)-2-[(2R)-3-oxidanylidene-1-phenethyl-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-methyl-N-(oxan-4-ylmethyl)-2-[(2R)-3-oxidanylidene-1-phenethyl-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-methyl-2-[(2R)-3-oxo-1-phenethyl-piperazin-1-ium-2-yl]-N-(tetrahydropyran-4-ylmethyl)acetamide CAS Name: N-methyl-N-(4-oxanylmethyl)-2-[(2R)-3-oxo-1-phenethyl-2-piperazin-1-iumyl]acetamide IUPAC Name: N-methyl-N-(oxan-4-ylmethyl)-2-[(2R)-3-oxo-1-phenethylpiperazin-1-ium-2-yl]acetamide Traditional Name: 2-[(2R)-3-keto-1-phenethyl-piperazin-1-ium-2-yl]-N-methyl-N-(tetrahydropyran-4-ylmethyl)acetamide Formula: C21H32N3O3+ MolecularWeight: 374.49708

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CCOCC1)C(=O)CC2C(=O)NCC[NH+]2CCC3=CC=CC=C3

Isomeric SMILES

CN(CC1CCOCC1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CCC3=CC=CC=C3

InChI

InChI=1S/C21H31N3O3/c1-23(16-18-8-13-27-14-9-18)20(25)15-19-21(26)22-10-12-24(19)11-7-17-5-3-2-4-6-17/h2-6,18-19H,7-16H2,1H3,(H,22,26)/p+1/t19-/m1/s1