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

Systemtic Name: N-ethyl-2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-N-ethyl-2-[(2R)-1-(o-tolylmethyl)-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: N-ethyl-2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-N-ethyl-2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: N-benzyl-N-ethyl-2-[(2R)-3-keto-1-(2-methylbenzyl)piperazin-1-ium-2-yl]acetamide Formula: C23H30N3O2+ MolecularWeight: 380.5032

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)CC2C(=O)NCC[NH+]2CC3=CC=CC=C3C

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC=CC=C3C

InChI

InChI=1S/C23H29N3O2/c1-3-25(16-19-10-5-4-6-11-19)22(27)15-21-23(28)24-13-14-26(21)17-20-12-8-7-9-18(20)2/h4-12,21H,3,13-17H2,1-2H3,(H,24,28)/p+1/t21-/m1/s1