[4-(3-phenylpropyl)-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-4-yl]methanol

Systemtic Name: [4-(3-phenylpropyl)-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-4-yl]methanol Openeye Name: [4-(3-phenylpropyl)-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-4-yl]methanol CAS Name: [4-(3-phenylpropyl)-1-[[3-(1-pyrazolyl)phenyl]methyl]-4-piperidin-1-iumyl]methanol IUPAC Name: [4-(3-phenylpropyl)-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-4-yl]methanol Traditional Name: [4-(3-phenylpropyl)-1-(3-pyrazol-1-ylbenzyl)piperidin-1-ium-4-yl]methanol Formula: C25H32N3O+ MolecularWeight: 390.54108

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1(CCCC2=CC=CC=C2)CO)CC3=CC(=CC=C3)N4C=CC=N4

Isomeric SMILES

C1C[NH+](CCC1(CCCC2=CC=CC=C2)CO)CC3=CC(=CC=C3)N4C=CC=N4

InChI

InChI=1S/C25H31N3O/c29-21-25(12-5-10-22-7-2-1-3-8-22)13-17-27(18-14-25)20-23-9-4-11-24(19-23)28-16-6-15-26-28/h1-4,6-9,11,15-16,19,29H,5,10,12-14,17-18,20-21H2/p+1