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

Systemtic Name: N-cyclohexyl-2-[(2R)-1-[(2,4-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-cyclohexyl-2-[(2R)-1-[(2,4-dimethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: N-cyclohexyl-2-[(2R)-1-[(2,4-dimethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclohexyl-2-[(2R)-1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: N-cyclohexyl-2-[(2R)-1-(2,4-dimethoxybenzyl)-3-keto-piperazin-1-ium-2-yl]acetamide Formula: C21H32N3O4+ MolecularWeight: 390.49648

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH+]2CCNC(=O)C2CC(=O)NC3CCCCC3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)NC3CCCCC3)OC

InChI

InChI=1S/C21H31N3O4/c1-27-17-9-8-15(19(12-17)28-2)14-24-11-10-22-21(26)18(24)13-20(25)23-16-6-4-3-5-7-16/h8-9,12,16,18H,3-7,10-11,13-14H2,1-2H3,(H,22,26)(H,23,25)/p+1/t18-/m1/s1