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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CNC(=O)CC2C(=O)NCC[NH+]2CC3=CC=CC=C3OC

Isomeric SMILES

CC1=CC(=CC=C1)CNC(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC=CC=C3OC

InChI

InChI=1S/C22H27N3O3/c1-16-6-5-7-17(12-16)14-24-21(26)13-19-22(27)23-10-11-25(19)15-18-8-3-4-9-20(18)28-2/h3-9,12,19H,10-11,13-15H2,1-2H3,(H,23,27)(H,24,26)/p+1/t19-/m1/s1