2-[(4-fluorophenyl)-[1-(3-phenoxypropyl)piperidin-4-yl]methyl]pyridine hydrate

Systemtic Name: 2-[(4-fluorophenyl)-[1-(3-phenoxypropyl)piperidin-4-yl]methyl]pyridine hydrate Openeye Name: 2-[(4-fluorophenyl)-[1-(3-phenoxypropyl)-4-piperidyl]methyl]pyridine hydrate CAS Name: 2-[(4-fluorophenyl)-[1-(3-phenoxypropyl)-4-piperidinyl]methyl]pyridine hydrate IUPAC Name: 2-[(4-fluorophenyl)-[1-(3-phenoxypropyl)piperidin-4-yl]methyl]pyridine hydrate Traditional Name: 2-[(4-fluorophenyl)-[1-(3-phenoxypropyl)-4-piperidyl]methyl]pyridine hydrate Formula: C26H31FN2O2 MolecularWeight: 422.534943

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(C2=CC=C(C=C2)F)C3=CC=CC=N3)CCCOC4=CC=CC=C4.O

Isomeric SMILES

C1CN(CCC1C(C2=CC=C(C=C2)F)C3=CC=CC=N3)CCCOC4=CC=CC=C4.O

InChI

InChI=1S/C26H29FN2O.H2O/c27-23-12-10-21(11-13-23)26(25-9-4-5-16-28-25)22-14-18-29(19-15-22)17-6-20-30-24-7-2-1-3-8-24;/h1-5,7-13,16,22,26H,6,14-15,17-20H2;1H2