(E)-4-phenyl-3-[2-(2-piperidin-1-ylethoxy)phenoxy]but-3-en-2-one hydrate hydrochloride

Systemtic Name: (E)-4-phenyl-3-[2-(2-piperidin-1-ylethoxy)phenoxy]but-3-en-2-one hydrate hydrochloride Openeye Name: (E)-4-phenyl-3-[2-[2-(1-piperidyl)ethoxy]phenoxy]but-3-en-2-one hydrate hydrochloride CAS Name: (E)-4-phenyl-3-[2-[2-(1-piperidinyl)ethoxy]phenoxy]-3-buten-2-one hydrate hydrochloride IUPAC Name: (E)-4-phenyl-3-[2-(2-piperidin-1-ylethoxy)phenoxy]but-3-en-2-one hydrate hydrochloride Traditional Name: (E)-4-phenyl-3-[2-(2-piperidinoethoxy)phenoxy]but-3-en-2-one hydrate hydrochloride Formula: C23H30ClNO4 MolecularWeight: 419.9416

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC=CC=C1)OC2=CC=CC=C2OCCN3CCCCC3.O.Cl

Isomeric SMILES

CC(=O)/C(=C\C1=CC=CC=C1)/OC2=CC=CC=C2OCCN3CCCCC3.O.Cl

InChI

InChI=1S/C23H27NO3.ClH.H2O/c1-19(25)23(18-20-10-4-2-5-11-20)27-22-13-7-6-12-21(22)26-17-16-24-14-8-3-9-15-24;;/h2,4-7,10-13,18H,3,8-9,14-17H2,1H3;1H;1H2/b23-18+;;