N-[(2,6-dimethoxyphenyl)methyl]-2-[(2R)-3-oxidanylidene-1-propan-2-yl-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-[(2,6-dimethoxyphenyl)methyl]-2-[(2R)-3-oxidanylidene-1-propan-2-yl-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-[(2,6-dimethoxyphenyl)methyl]-2-[(2R)-1-isopropyl-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: N-[(2,6-dimethoxyphenyl)methyl]-2-[(2R)-3-oxo-1-propan-2-yl-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2,6-dimethoxyphenyl)methyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-1-ium-2-yl]acetamide Traditional Name: N-(2,6-dimethoxybenzyl)-2-[(2R)-1-isopropyl-3-keto-piperazin-1-ium-2-yl]acetamide Formula: C18H28N3O4+ MolecularWeight: 350.43262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCNC(=O)C1CC(=O)NCC2=C(C=CC=C2OC)OC

Isomeric SMILES

CC(C)[NH+]1CCNC(=O)[C@H]1CC(=O)NCC2=C(C=CC=C2OC)OC

InChI

InChI=1S/C18H27N3O4/c1-12(2)21-9-8-19-18(23)14(21)10-17(22)20-11-13-15(24-3)6-5-7-16(13)25-4/h5-7,12,14H,8-11H2,1-4H3,(H,19,23)(H,20,22)/p+1/t14-/m1/s1