2-[3-[4-(phenylmethyl)piperidin-1-yl]propyl]-4H-1,4-benzoxazine-3-thione dihydrochloride

Systemtic Name: 2-[3-[4-(phenylmethyl)piperidin-1-yl]propyl]-4H-1,4-benzoxazine-3-thione dihydrochloride Openeye Name: 2-[3-(4-benzyl-1-piperidyl)propyl]-4H-1,4-benzoxazine-3-thione dihydrochloride CAS Name: 2-[3-[4-(phenylmethyl)-1-piperidinyl]propyl]-4H-1,4-benzoxazine-3-thione dihydrochloride IUPAC Name: 2-[3-(4-benzylpiperidin-1-yl)propyl]-4H-1,4-benzoxazine-3-thione dihydrochloride Traditional Name: 2-[3-(4-benzylpiperidino)propyl]-4H-1,4-benzoxazine-3-thione dihydrochloride Formula: C23H30Cl2N2OS MolecularWeight: 453.4681

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)CCCC3C(=S)NC4=CC=CC=C4O3.Cl.Cl

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)CCCC3C(=S)NC4=CC=CC=C4O3.Cl.Cl

InChI

InChI=1S/C23H28N2OS.2ClH/c27-23-22(26-21-10-5-4-9-20(21)24-23)11-6-14-25-15-12-19(13-16-25)17-18-7-2-1-3-8-18;;/h1-5,7-10,19,22H,6,11-17H2,(H,24,27);2*1H