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

Systemtic Name: 4-[4-[[(3S)-3-phenylazanylpiperidin-1-ium-1-yl]methyl]phenyl]but-3-yn-1-ol Openeye Name: 4-[4-[[(3S)-3-anilinopiperidin-1-ium-1-yl]methyl]phenyl]but-3-yn-1-ol CAS Name: 4-[4-[[(3S)-3-anilino-1-piperidin-1-iumyl]methyl]phenyl]-3-butyn-1-ol IUPAC Name: 4-[4-[[(3S)-3-anilinopiperidin-1-ium-1-yl]methyl]phenyl]but-3-yn-1-ol Traditional Name: 4-[4-[[(3S)-3-anilinopiperidin-1-ium-1-yl]methyl]phenyl]but-3-yn-1-ol Formula: C22H27N2O+ MolecularWeight: 335.46258

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=C(C=C2)C#CCCO)NC3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=C(C=C2)C#CCCO)NC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O/c25-16-5-4-7-19-11-13-20(14-12-19)17-24-15-6-10-22(18-24)23-21-8-2-1-3-9-21/h1-3,8-9,11-14,22-23,25H,5-6,10,15-18H2/p+1/t22-/m0/s1