4-[4-[[(3S)-3-[(4-propan-2-ylphenyl)amino]piperidin-1-ium-1-yl]methyl]phenyl]but-3-yn-1-ol

Systemtic Name: 4-[4-[[(3S)-3-[(4-propan-2-ylphenyl)amino]piperidin-1-ium-1-yl]methyl]phenyl]but-3-yn-1-ol Openeye Name: 4-[4-[[(3S)-3-(4-isopropylanilino)piperidin-1-ium-1-yl]methyl]phenyl]but-3-yn-1-ol CAS Name: 4-[4-[[(3S)-3-(4-propan-2-ylanilino)-1-piperidin-1-iumyl]methyl]phenyl]-3-butyn-1-ol IUPAC Name: 4-[4-[[(3S)-3-(4-propan-2-ylanilino)piperidin-1-ium-1-yl]methyl]phenyl]but-3-yn-1-ol Traditional Name: 4-[4-[[(3S)-3-cumidinopiperidin-1-ium-1-yl]methyl]phenyl]but-3-yn-1-ol Formula: C25H33N2O+ MolecularWeight: 377.54232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC2CCC[NH+](C2)CC3=CC=C(C=C3)C#CCCO

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O/c1-20(2)23-12-14-24(15-13-23)26-25-7-5-16-27(19-25)18-22-10-8-21(9-11-22)6-3-4-17-28/h8-15,20,25-26,28H,4-5,7,16-19H2,1-2H3/p+1/t25-/m0/s1