N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[(2R)-3-oxidanylidene-1-phenethyl-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[(2R)-3-oxidanylidene-1-phenethyl-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-methyl-N-[(5-methyl-2-furyl)methyl]-2-[(2R)-3-oxo-1-phenethyl-piperazin-1-ium-2-yl]acetamide CAS Name: N-methyl-N-[(5-methyl-2-furanyl)methyl]-2-[(2R)-3-oxo-1-phenethyl-2-piperazin-1-iumyl]acetamide IUPAC Name: N-methyl-N-[(5-methylfuran-2-yl)methyl]-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-[(5-methyl-2-furyl)methyl]acetamide Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CN(C)C(=O)CC2C(=O)NCC[NH+]2CCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(O1)CN(C)C(=O)C[C@@H]2C(=O)NCC[NH+]2CCC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O3/c1-16-8-9-18(27-16)15-23(2)20(25)14-19-21(26)22-11-13-24(19)12-10-17-6-4-3-5-7-17/h3-9,19H,10-15H2,1-2H3,(H,22,26)/p+1/t19-/m1/s1