4-[4-[[(3S)-3-pyrrolidin-1-ylpiperidin-1-ium-1-yl]methyl]phenyl]but-3-yn-1-ol

Systemtic Name: 4-[4-[[(3S)-3-pyrrolidin-1-ylpiperidin-1-ium-1-yl]methyl]phenyl]but-3-yn-1-ol Openeye Name: 4-[4-[[(3S)-3-pyrrolidin-1-ylpiperidin-1-ium-1-yl]methyl]phenyl]but-3-yn-1-ol CAS Name: 4-[4-[[(3S)-3-(1-pyrrolidinyl)-1-piperidin-1-iumyl]methyl]phenyl]-3-butyn-1-ol IUPAC Name: 4-[4-[[(3S)-3-pyrrolidin-1-ylpiperidin-1-ium-1-yl]methyl]phenyl]but-3-yn-1-ol Traditional Name: 4-[4-[[(3S)-3-pyrrolidinopiperidin-1-ium-1-yl]methyl]phenyl]but-3-yn-1-ol Formula: C20H29N2O+ MolecularWeight: 313.45706

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2CCC[NH+](C2)CC3=CC=C(C=C3)C#CCCO

Isomeric SMILES

C1CCN(C1)[C@H]2CCC[NH+](C2)CC3=CC=C(C=C3)C#CCCO

InChI

InChI=1S/C20H28N2O/c23-15-4-1-6-18-8-10-19(11-9-18)16-21-12-5-7-20(17-21)22-13-2-3-14-22/h8-11,20,23H,2-5,7,12-17H2/p+1/t20-/m0/s1