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

Systemtic Name: [4-(3-phenylpropyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-4-yl]methanol Openeye Name: [4-(3-phenylpropyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-4-yl]methanol CAS Name: [4-(3-phenylpropyl)-1-[[4-(1-pyrazolyl)phenyl]methyl]-4-piperidin-1-iumyl]methanol IUPAC Name: [4-(3-phenylpropyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-4-yl]methanol Traditional Name: [4-(3-phenylpropyl)-1-(4-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=C(C=C3)N4C=CC=N4

Isomeric SMILES

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

InChI

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