N-[2-(2-methoxyphenyl)ethyl]-2-[(2R)-3-oxidanylidene-1-(phenylmethyl)piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-[2-(2-methoxyphenyl)ethyl]-2-[(2R)-3-oxidanylidene-1-(phenylmethyl)piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[(2R)-1-benzyl-3-oxo-piperazin-1-ium-2-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide CAS Name: N-[2-(2-methoxyphenyl)ethyl]-2-[(2R)-3-oxo-1-(phenylmethyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[(2R)-1-benzyl-3-oxopiperazin-1-ium-2-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide Traditional Name: 2-[(2R)-1-benzyl-3-keto-piperazin-1-ium-2-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CCNC(=O)CC2C(=O)NCC[NH+]2CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1CCNC(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O3/c1-28-20-10-6-5-9-18(20)11-12-23-21(26)15-19-22(27)24-13-14-25(19)16-17-7-3-2-4-8-17/h2-10,19H,11-16H2,1H3,(H,23,26)(H,24,27)/p+1/t19-/m1/s1