N-(1-cyano-4-methyl-cyclohexyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-methyl-ethanamide

Systemtic Name: N-(1-cyano-4-methyl-cyclohexyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-methyl-ethanamide Openeye Name: N-(1-cyano-4-methyl-cyclohexyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-methyl-acetamide CAS Name: N-(1-cyano-4-methylcyclohexyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)-1-pyrrolidin-1-iumyl]-N-methylacetamide IUPAC Name: N-(1-cyano-4-methylcyclohexyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-methylacetamide Traditional Name: N-(1-cyano-4-methyl-cyclohexyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-methyl-acetamide Formula: C23H34N3O3+ MolecularWeight: 400.53436

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)(C#N)N(C)C(=O)C[NH+]2CCCC2C3=C(C=C(C=C3)OC)OC

Isomeric SMILES

CC1CCC(CC1)(C#N)N(C)C(=O)C[NH+]2CCC[C@@H]2C3=C(C=C(C=C3)OC)OC

InChI

InChI=1S/C23H33N3O3/c1-17-9-11-23(16-24,12-10-17)25(2)22(27)15-26-13-5-6-20(26)19-8-7-18(28-3)14-21(19)29-4/h7-8,14,17,20H,5-6,9-13,15H2,1-4H3/p+1/t17?,20-,23?/m1/s1