1-phenyl-5-piperidin-1-ium-1-yl-1-pyridin-1-ium-4-yl-pent-3-yn-1-ol dichloride

Systemtic Name: 1-phenyl-5-piperidin-1-ium-1-yl-1-pyridin-1-ium-4-yl-pent-3-yn-1-ol dichloride Openeye Name: 1-phenyl-5-piperidin-1-ium-1-yl-1-pyridin-1-ium-4-yl-pent-3-yn-1-ol dichloride CAS Name: 1-phenyl-5-(1-piperidin-1-iumyl)-1-(4-pyridin-1-iumyl)-3-pentyn-1-ol dichloride IUPAC Name: 1-phenyl-5-piperidin-1-ium-1-yl-1-pyridin-1-ium-4-ylpent-3-yn-1-ol dichloride Traditional Name: 1-phenyl-5-piperidin-1-ium-1-yl-1-pyridin-1-ium-4-yl-pent-3-yn-1-ol dichloride Formula: C21H26Cl2N2O MolecularWeight: 393.34994

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC#CCC(C2=CC=CC=C2)(C3=CC=[NH+]C=C3)O.[Cl-].[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)CC#CCC(C2=CC=CC=C2)(C3=CC=[NH+]C=C3)O.[Cl-].[Cl-]

InChI

InChI=1S/C21H24N2O.2ClH/c24-21(19-9-3-1-4-10-19,20-11-14-22-15-12-20)13-5-8-18-23-16-6-2-7-17-23;;/h1,3-4,9-12,14-15,24H,2,6-7,13,16-18H2;2*1H