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

Systemtic Name: N-[(4-methoxyphenyl)methyl]-2-[(2R)-3-oxidanylidene-1-phenethyl-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-[(4-methoxyphenyl)methyl]-2-[(2R)-3-oxo-1-phenethyl-piperazin-1-ium-2-yl]acetamide CAS Name: N-[(4-methoxyphenyl)methyl]-2-[(2R)-3-oxo-1-phenethyl-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[(4-methoxyphenyl)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-p-anisyl-acetamide Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)CC2C(=O)NCC[NH+]2CCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)C[C@@H]2C(=O)NCC[NH+]2CCC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O3/c1-28-19-9-7-18(8-10-19)16-24-21(26)15-20-22(27)23-12-14-25(20)13-11-17-5-3-2-4-6-17/h2-10,20H,11-16H2,1H3,(H,23,27)(H,24,26)/p+1/t20-/m1/s1