[(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-phenethyl-piperidin-1-ium-3-yl]methanol

Systemtic Name: [(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-phenethyl-piperidin-1-ium-3-yl]methanol Openeye Name: [(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-phenethyl-piperidin-1-ium-3-yl]methanol CAS Name: [(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-phenethyl-3-piperidin-1-iumyl]methanol IUPAC Name: [(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-phenethylpiperidin-1-ium-3-yl]methanol Traditional Name: [(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-phenethyl-piperidin-1-ium-3-yl]methanol Formula: C22H34N3O+ MolecularWeight: 356.52486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1)C[NH+]2CCCC(C2)(CCC3=CC=CC=C3)CO

Isomeric SMILES

CCCCC1=NC=C(N1)C[NH+]2CCC[C@@](C2)(CCC3=CC=CC=C3)CO

InChI

InChI=1S/C22H33N3O/c1-2-3-10-21-23-15-20(24-21)16-25-14-7-12-22(17-25,18-26)13-11-19-8-5-4-6-9-19/h4-6,8-9,15,26H,2-3,7,10-14,16-18H2,1H3,(H,23,24)/p+1/t22-/m0/s1