1-[3-(2-pyridin-1-ium-3-ylpiperidin-1-ium-1-yl)prop-1-ynyl]cyclohexan-1-ol

Systemtic Name: 1-[3-(2-pyridin-1-ium-3-ylpiperidin-1-ium-1-yl)prop-1-ynyl]cyclohexan-1-ol Openeye Name: 1-[3-(2-pyridin-1-ium-3-ylpiperidin-1-ium-1-yl)prop-1-ynyl]cyclohexanol CAS Name: 1-[3-[2-(3-pyridin-1-iumyl)-1-piperidin-1-iumyl]prop-1-ynyl]-1-cyclohexanol IUPAC Name: 1-[3-(2-pyridin-1-ium-3-ylpiperidin-1-ium-1-yl)prop-1-ynyl]cyclohexan-1-ol Traditional Name: 1-[3-(2-pyridin-1-ium-3-ylpiperidin-1-ium-1-yl)prop-1-ynyl]cyclohexanol Formula: C19H28N2O+2 MolecularWeight: 300.43842

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#CC[NH+]2CCCCC2C3=C[NH+]=CC=C3)O

Isomeric SMILES

C1CCC(CC1)(C#CC[NH+]2CCCCC2C3=C[NH+]=CC=C3)O

InChI

InChI=1S/C19H26N2O/c22-19(10-3-1-4-11-19)12-7-15-21-14-5-2-9-18(21)17-8-6-13-20-16-17/h6,8,13,16,18,22H,1-5,9-11,14-15H2/p+2