4-cyanopentyl-(phenylmethyl)-(1,2,5-trimethylpiperidin-1-ium-4-yl)azanium dichloride

Systemtic Name: 4-cyanopentyl-(phenylmethyl)-(1,2,5-trimethylpiperidin-1-ium-4-yl)azanium dichloride Openeye Name: benzyl-(4-cyanopentyl)-(1,2,5-trimethylpiperidin-1-ium-4-yl)ammonium dichloride CAS Name: 4-cyanopentyl-(phenylmethyl)-(1,2,5-trimethyl-4-piperidin-1-iumyl)ammonium dichloride IUPAC Name: benzyl-(4-cyanopentyl)-(1,2,5-trimethylpiperidin-1-ium-4-yl)azanium dichloride Traditional Name: benzyl-(4-cyanopentyl)-(1,2,5-trimethylpiperidin-1-ium-4-yl)ammonium dichloride Formula: C21H35Cl2N3 MolecularWeight: 400.4287

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C[NH+]1C)C)[NH+](CCCC(C)C#N)CC2=CC=CC=C2.[Cl-].[Cl-]

Isomeric SMILES

CC1CC(C(C[NH+]1C)C)[NH+](CCCC(C)C#N)CC2=CC=CC=C2.[Cl-].[Cl-]

InChI

InChI=1S/C21H33N3.2ClH/c1-17(14-22)9-8-12-24(16-20-10-6-5-7-11-20)21-13-19(3)23(4)15-18(21)2;;/h5-7,10-11,17-19,21H,8-9,12-13,15-16H2,1-4H3;2*1H