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

Systemtic Name: 1-[3-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]prop-1-ynyl]cycloheptan-1-ol Openeye Name: 1-[3-[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]prop-1-ynyl]cycloheptanol CAS Name: 1-[3-[(2S)-2-(3-pyridinyl)-1-piperidin-1-iumyl]prop-1-ynyl]-1-cycloheptanol IUPAC Name: 1-[3-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]prop-1-ynyl]cycloheptan-1-ol Traditional Name: 1-[3-[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]prop-1-ynyl]cycloheptanol Formula: C20H29N2O+ MolecularWeight: 313.45706

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(C#CC[NH+]2CCCCC2C3=CN=CC=C3)O

Isomeric SMILES

C1CCCC(CC1)(C#CC[NH+]2CCCC[C@H]2C3=CN=CC=C3)O

InChI

InChI=1S/C20H28N2O/c23-20(11-4-1-2-5-12-20)13-8-16-22-15-6-3-10-19(22)18-9-7-14-21-17-18/h7,9,14,17,19,23H,1-6,10-12,15-16H2/p+1/t19-/m0/s1