N-[(4-methoxyphenyl)methyl]-2-[(2R)-1-(2-methylpropyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-[(4-methoxyphenyl)methyl]-2-[(2R)-1-(2-methylpropyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[(2R)-1-isobutyl-3-oxo-piperazin-1-ium-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide CAS Name: N-[(4-methoxyphenyl)methyl]-2-[(2R)-1-(2-methylpropyl)-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[(4-methoxyphenyl)methyl]-2-[(2R)-1-(2-methylpropyl)-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: 2-[(2R)-1-isobutyl-3-keto-piperazin-1-ium-2-yl]-N-p-anisyl-acetamide Formula: C18H28N3O3+ MolecularWeight: 334.43322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCNC(=O)C1CC(=O)NCC2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)C[NH+]1CCNC(=O)[C@H]1CC(=O)NCC2=CC=C(C=C2)OC

InChI

InChI=1S/C18H27N3O3/c1-13(2)12-21-9-8-19-18(23)16(21)10-17(22)20-11-14-4-6-15(24-3)7-5-14/h4-7,13,16H,8-12H2,1-3H3,(H,19,23)(H,20,22)/p+1/t16-/m1/s1