N-[(4-ethylphenyl)methyl]-N-methyl-2-[(2R)-3-oxidanylidene-1-(phenylmethyl)piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-[(4-ethylphenyl)methyl]-N-methyl-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-[(4-ethylphenyl)methyl]-N-methyl-acetamide CAS Name: N-[(4-ethylphenyl)methyl]-N-methyl-2-[(2R)-3-oxo-1-(phenylmethyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[(2R)-1-benzyl-3-oxopiperazin-1-ium-2-yl]-N-[(4-ethylphenyl)methyl]-N-methylacetamide Traditional Name: 2-[(2R)-1-benzyl-3-keto-piperazin-1-ium-2-yl]-N-(4-ethylbenzyl)-N-methyl-acetamide Formula: C23H30N3O2+ MolecularWeight: 380.5032

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN(C)C(=O)CC2C(=O)NCC[NH+]2CC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)CN(C)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC=CC=C3

InChI

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