[1-[(5-methyl-2-pyrazol-1-yl-phenyl)methyl]-4-phenethyl-piperidin-1-ium-4-yl]methanol

Systemtic Name: [1-[(5-methyl-2-pyrazol-1-yl-phenyl)methyl]-4-phenethyl-piperidin-1-ium-4-yl]methanol Openeye Name: [1-[(5-methyl-2-pyrazol-1-yl-phenyl)methyl]-4-phenethyl-piperidin-1-ium-4-yl]methanol CAS Name: [1-[[5-methyl-2-(1-pyrazolyl)phenyl]methyl]-4-phenethyl-4-piperidin-1-iumyl]methanol IUPAC Name: [1-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]-4-phenethylpiperidin-1-ium-4-yl]methanol Traditional Name: [1-(5-methyl-2-pyrazol-1-yl-benzyl)-4-phenethyl-piperidin-1-ium-4-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+]3CCC(CC3)(CCC4=CC=CC=C4)CO

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=CC=N2)C[NH+]3CCC(CC3)(CCC4=CC=CC=C4)CO

InChI

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