5-(4-phenylpiperazin-1-yl)pentan-2-one hydrate hydrochloride

Systemtic Name: 5-(4-phenylpiperazin-1-yl)pentan-2-one hydrate hydrochloride Openeye Name: 5-(4-phenylpiperazin-1-yl)pentan-2-one hydrate hydrochloride CAS Name: 5-(4-phenyl-1-piperazinyl)-2-pentanone hydrate hydrochloride IUPAC Name: 5-(4-phenylpiperazin-1-yl)pentan-2-one hydrate hydrochloride Traditional Name: 5-(4-phenylpiperazino)pentan-2-one hydrate hydrochloride Formula: C15H25ClN2O2 MolecularWeight: 300.8242

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCN1CCN(CC1)C2=CC=CC=C2.O.Cl

Isomeric SMILES

CC(=O)CCCN1CCN(CC1)C2=CC=CC=C2.O.Cl

InChI

InChI=1S/C15H22N2O.ClH.H2O/c1-14(18)6-5-9-16-10-12-17(13-11-16)15-7-3-2-4-8-15;;/h2-4,7-8H,5-6,9-13H2,1H3;1H;1H2