3-[(4-phenylsulfanylpiperidin-1-yl)methyl]-7,8,9,10-tetrahydro-5H-phenanthridin-6-one hydrochloride

Systemtic Name: 3-[(4-phenylsulfanylpiperidin-1-yl)methyl]-7,8,9,10-tetrahydro-5H-phenanthridin-6-one hydrochloride Openeye Name: 3-[(4-phenylsulfanyl-1-piperidyl)methyl]-7,8,9,10-tetrahydro-5H-phenanthridin-6-one hydrochloride CAS Name: 3-[[4-(phenylthio)-1-piperidinyl]methyl]-7,8,9,10-tetrahydro-5H-phenanthridin-6-one hydrochloride IUPAC Name: 3-[(4-phenylsulfanylpiperidin-1-yl)methyl]-7,8,9,10-tetrahydro-5H-phenanthridin-6-one hydrochloride Traditional Name: 3-[[4-(phenylthio)piperidino]methyl]-7,8,9,10-tetrahydro-5H-phenanthridin-6-one hydrochloride Formula: C25H29ClN2OS MolecularWeight: 441.02856

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(C=C(C=C3)CN4CCC(CC4)SC5=CC=CC=C5)NC2=O.Cl

Isomeric SMILES

C1CCC2=C(C1)C3=C(C=C(C=C3)CN4CCC(CC4)SC5=CC=CC=C5)NC2=O.Cl

InChI

InChI=1S/C25H28N2OS.ClH/c28-25-23-9-5-4-8-21(23)22-11-10-18(16-24(22)26-25)17-27-14-12-20(13-15-27)29-19-6-2-1-3-7-19;/h1-3,6-7,10-11,16,20H,4-5,8-9,12-15,17H2,(H,26,28);1H