2-[(2R)-1-[(2,4-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(quinolin-6-ylmethyl)ethanamide

Systemtic Name: 2-[(2R)-1-[(2,4-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(quinolin-6-ylmethyl)ethanamide Openeye Name: 2-[(2R)-1-[(2,4-dimethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-(6-quinolylmethyl)acetamide CAS Name: 2-[(2R)-1-[(2,4-dimethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-(6-quinolinylmethyl)acetamide IUPAC Name: 2-[(2R)-1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(quinolin-6-ylmethyl)acetamide Traditional Name: 2-[(2R)-1-(2,4-dimethoxybenzyl)-3-keto-piperazin-1-ium-2-yl]-N-(6-quinolylmethyl)acetamide Formula: C25H29N4O4+ MolecularWeight: 449.52216

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH+]2CCNC(=O)C2CC(=O)NCC3=CC4=C(C=C3)N=CC=C4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)NCC3=CC4=C(C=C3)N=CC=C4)OC

InChI

InChI=1S/C25H28N4O4/c1-32-20-7-6-19(23(13-20)33-2)16-29-11-10-27-25(31)22(29)14-24(30)28-15-17-5-8-21-18(12-17)4-3-9-26-21/h3-9,12-13,22H,10-11,14-16H2,1-2H3,(H,27,31)(H,28,30)/p+1/t22-/m1/s1