5-[4-(butylamino)piperidin-1-yl]-2-(3,4-dimethoxyphenyl)-2-propan-2-yl-pentanenitrile chloride

Systemtic Name: 5-[4-(butylamino)piperidin-1-yl]-2-(3,4-dimethoxyphenyl)-2-propan-2-yl-pentanenitrile chloride Openeye Name: 5-[4-(butylamino)-1-piperidyl]-2-(3,4-dimethoxyphenyl)-2-isopropyl-pentanenitrile chloride CAS Name: 5-[4-(butylamino)-1-piperidinyl]-2-(3,4-dimethoxyphenyl)-2-propan-2-ylpentanenitrile chloride IUPAC Name: 5-[4-(butylamino)piperidin-1-yl]-2-(3,4-dimethoxyphenyl)-2-propan-2-ylpentanenitrile chloride Traditional Name: 5-[4-(butylamino)piperidino]-2-(3,4-dimethoxyphenyl)-2-isopropyl-valeronitrile chloride Formula: C25H41ClN3O2- MolecularWeight: 451.06494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1CCN(CC1)CCCC(C#N)(C2=CC(=C(C=C2)OC)OC)C(C)C.[Cl-]

Isomeric SMILES

CCCCNC1CCN(CC1)CCCC(C#N)(C2=CC(=C(C=C2)OC)OC)C(C)C.[Cl-]

InChI

InChI=1S/C25H41N3O2.ClH/c1-6-7-14-27-22-11-16-28(17-12-22)15-8-13-25(19-26,20(2)3)21-9-10-23(29-4)24(18-21)30-5;/h9-10,18,20,22,27H,6-8,11-17H2,1-5H3;1H/p-1