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

Systemtic Name: N-methyl-2-[(2R)-3-oxidanylidene-1-(phenylmethyl)piperazin-1-ium-2-yl]-N-(quinolin-4-ylmethyl)ethanamide Openeye Name: 2-[(2R)-1-benzyl-3-oxo-piperazin-1-ium-2-yl]-N-methyl-N-(4-quinolylmethyl)acetamide CAS Name: N-methyl-2-[(2R)-3-oxo-1-(phenylmethyl)-2-piperazin-1-iumyl]-N-(4-quinolinylmethyl)acetamide IUPAC Name: 2-[(2R)-1-benzyl-3-oxopiperazin-1-ium-2-yl]-N-methyl-N-(quinolin-4-ylmethyl)acetamide Traditional Name: 2-[(2R)-1-benzyl-3-keto-piperazin-1-ium-2-yl]-N-methyl-N-(4-quinolylmethyl)acetamide Formula: C24H27N4O2+ MolecularWeight: 403.49678

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=NC2=CC=CC=C12)C(=O)CC3C(=O)NCC[NH+]3CC4=CC=CC=C4

Isomeric SMILES

CN(CC1=CC=NC2=CC=CC=C12)C(=O)C[C@@H]3C(=O)NCC[NH+]3CC4=CC=CC=C4

InChI

InChI=1S/C24H26N4O2/c1-27(17-19-11-12-25-21-10-6-5-9-20(19)21)23(29)15-22-24(30)26-13-14-28(22)16-18-7-3-2-4-8-18/h2-12,22H,13-17H2,1H3,(H,26,30)/p+1/t22-/m1/s1