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

Systemtic Name: N-cyclohexyl-2-[(2R)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-ethanamide Openeye Name: N-cyclohexyl-2-[(2R)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-methyl-acetamide CAS Name: N-cyclohexyl-2-[(2R)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-methylacetamide IUPAC Name: N-cyclohexyl-2-[(2R)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-methylacetamide Traditional Name: N-cyclohexyl-2-[(2R)-3-keto-1-veratryl-piperazin-1-ium-2-yl]-N-methyl-acetamide Formula: C22H34N3O4+ MolecularWeight: 404.52306

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=O)CC2C(=O)NCC[NH+]2CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN(C1CCCCC1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H33N3O4/c1-24(17-7-5-4-6-8-17)21(26)14-18-22(27)23-11-12-25(18)15-16-9-10-19(28-2)20(13-16)29-3/h9-10,13,17-18H,4-8,11-12,14-15H2,1-3H3,(H,23,27)/p+1/t18-/m1/s1