[(3R)-1-[(5-methyl-2-pyrazol-1-yl-phenyl)methyl]-3-phenethyl-piperidin-1-ium-3-yl]methanol

Systemtic Name: [(3R)-1-[(5-methyl-2-pyrazol-1-yl-phenyl)methyl]-3-phenethyl-piperidin-1-ium-3-yl]methanol Openeye Name: [(3R)-1-[(5-methyl-2-pyrazol-1-yl-phenyl)methyl]-3-phenethyl-piperidin-1-ium-3-yl]methanol CAS Name: [(3R)-1-[[5-methyl-2-(1-pyrazolyl)phenyl]methyl]-3-phenethyl-3-piperidin-1-iumyl]methanol IUPAC Name: [(3R)-1-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]-3-phenethylpiperidin-1-ium-3-yl]methanol Traditional Name: [(3R)-1-(5-methyl-2-pyrazol-1-yl-benzyl)-3-phenethyl-piperidin-1-ium-3-yl]methanol Formula: C25H32N3O+ MolecularWeight: 390.54108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C=CC=N2)C[NH+]3CCCC(C3)(CCC4=CC=CC=C4)CO

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=CC=N2)C[NH+]3CCC[C@@](C3)(CCC4=CC=CC=C4)CO

InChI

InChI=1S/C25H31N3O/c1-21-9-10-24(28-16-6-14-26-28)23(17-21)18-27-15-5-12-25(19-27,20-29)13-11-22-7-3-2-4-8-22/h2-4,6-10,14,16-17,29H,5,11-13,15,18-20H2,1H3/p+1/t25-/m0/s1