1-phenyl-N-(4-piperidin-1-ylbut-2-ynyl)cyclohexane-1-carboxamide hydrate hydrochloride

Systemtic Name: 1-phenyl-N-(4-piperidin-1-ylbut-2-ynyl)cyclohexane-1-carboxamide hydrate hydrochloride Openeye Name: 1-phenyl-N-[4-(1-piperidyl)but-2-ynyl]cyclohexanecarboxamide hydrate hydrochloride CAS Name: 1-phenyl-N-[4-(1-piperidinyl)but-2-ynyl]-1-cyclohexanecarboxamide hydrate hydrochloride IUPAC Name: 1-phenyl-N-(4-piperidin-1-ylbut-2-ynyl)cyclohexane-1-carboxamide hydrate hydrochloride Traditional Name: 1-phenyl-N-(4-piperidinobut-2-ynyl)cyclohexanecarboxamide hydrate hydrochloride Formula: C22H33ClN2O2 MolecularWeight: 392.96262

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C2=CC=CC=C2)C(=O)NCC#CCN3CCCCC3.O.Cl

Isomeric SMILES

C1CCC(CC1)(C2=CC=CC=C2)C(=O)NCC#CCN3CCCCC3.O.Cl

InChI

InChI=1S/C22H30N2O.ClH.H2O/c25-21(23-16-8-11-19-24-17-9-3-10-18-24)22(14-6-2-7-15-22)20-12-4-1-5-13-20;;/h1,4-5,12-13H,2-3,6-7,9-10,14-19H2,(H,23,25);1H;1H2