2-[(2S)-1-[(4-methoxy-3-methyl-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(5-methylfuran-2-yl)methyl]ethanamide

Systemtic Name: 2-[(2S)-1-[(4-methoxy-3-methyl-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(5-methylfuran-2-yl)methyl]ethanamide Openeye Name: 2-[(2S)-1-[(4-methoxy-3-methyl-phenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-[(5-methyl-2-furyl)methyl]acetamide CAS Name: 2-[(2S)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[(5-methyl-2-furanyl)methyl]acetamide IUPAC Name: 2-[(2S)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide Traditional Name: 2-[(2S)-3-keto-1-(4-methoxy-3-methyl-benzyl)piperazin-1-ium-2-yl]-N-[(5-methyl-2-furyl)methyl]acetamide Formula: C21H28N3O4+ MolecularWeight: 386.46472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CNC(=O)CC2C(=O)NCC[NH+]2CC3=CC(=C(C=C3)OC)C

Isomeric SMILES

CC1=CC=C(O1)CNC(=O)C[C@H]2C(=O)NCC[NH+]2CC3=CC(=C(C=C3)OC)C

InChI

InChI=1S/C21H27N3O4/c1-14-10-16(5-7-19(14)27-3)13-24-9-8-22-21(26)18(24)11-20(25)23-12-17-6-4-15(2)28-17/h4-7,10,18H,8-9,11-13H2,1-3H3,(H,22,26)(H,23,25)/p+1/t18-/m0/s1