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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)CC2C(=O)NCC[NH+]2CC3=CC(=CC=C3)OC

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC(=CC=C3)OC

InChI

InChI=1S/C22H27N3O3/c1-16-6-3-4-8-18(16)14-24-21(26)13-20-22(27)23-10-11-25(20)15-17-7-5-9-19(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