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

Systemtic Name: N-[(3-methoxyphenyl)methyl]-2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-[(3-methoxyphenyl)methyl]-2-[(2R)-1-(o-tolylmethyl)-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: N-[(3-methoxyphenyl)methyl]-2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[(3-methoxyphenyl)methyl]-2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: 2-[(2R)-3-keto-1-(2-methylbenzyl)piperazin-1-ium-2-yl]-N-m-anisyl-acetamide Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCNC(=O)C2CC(=O)NCC3=CC(=CC=C3)OC

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCNC(=O)[C@H]2CC(=O)NCC3=CC(=CC=C3)OC

InChI

InChI=1S/C22H27N3O3/c1-16-6-3-4-8-18(16)15-25-11-10-23-22(27)20(25)13-21(26)24-14-17-7-5-9-19(12-17)28-2/h3-9,12,20H,10-11,13-15H2,1-2H3,(H,23,27)(H,24,26)/p+1/t20-/m1/s1