2-[(4-oxidanylpiperazin-1-yl)methyl]-3-phenylazanyl-cyclohex-2-en-1-one hydrochloride

Systemtic Name: 2-[(4-oxidanylpiperazin-1-yl)methyl]-3-phenylazanyl-cyclohex-2-en-1-one hydrochloride Openeye Name: 3-anilino-2-[(4-hydroxypiperazin-1-yl)methyl]cyclohex-2-en-1-one hydrochloride CAS Name: 3-anilino-2-[(4-hydroxy-1-piperazinyl)methyl]-1-cyclohex-2-enone hydrochloride IUPAC Name: 3-anilino-2-[(4-hydroxypiperazin-1-yl)methyl]cyclohex-2-en-1-one hydrochloride Traditional Name: 3-anilino-2-[(4-hydroxypiperazino)methyl]cyclohex-2-en-1-one hydrochloride Formula: C17H24ClN3O2 MolecularWeight: 337.84436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C(=O)C1)CN2CCN(CC2)O)NC3=CC=CC=C3.Cl

Isomeric SMILES

C1CC(=C(C(=O)C1)CN2CCN(CC2)O)NC3=CC=CC=C3.Cl

InChI

InChI=1S/C17H23N3O2.ClH/c21-17-8-4-7-16(18-14-5-2-1-3-6-14)15(17)13-19-9-11-20(22)12-10-19;/h1-3,5-6,18,22H,4,7-13H2;1H