4-[4-[3-[(4-methoxypiperidin-1-yl)methyl]phenyl]but-3-ynyl]thiomorpholine

Systemtic Name: 4-[4-[3-[(4-methoxypiperidin-1-yl)methyl]phenyl]but-3-ynyl]thiomorpholine Openeye Name: 4-[4-[3-[(4-methoxy-1-piperidyl)methyl]phenyl]but-3-ynyl]thiomorpholine CAS Name: 4-[4-[3-[(4-methoxy-1-piperidinyl)methyl]phenyl]but-3-ynyl]thiomorpholine IUPAC Name: 4-[4-[3-[(4-methoxypiperidin-1-yl)methyl]phenyl]but-3-ynyl]thiomorpholine Traditional Name: 4-[4-[3-[(4-methoxypiperidino)methyl]phenyl]but-3-ynyl]thiomorpholine Formula: C21H30N2OS MolecularWeight: 358.5407

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCN(CC1)CC2=CC=CC(=C2)C#CCCN3CCSCC3

Isomeric SMILES

COC1CCN(CC1)CC2=CC=CC(=C2)C#CCCN3CCSCC3

InChI

InChI=1S/C21H30N2OS/c1-24-21-8-11-23(12-9-21)18-20-7-4-6-19(17-20)5-2-3-10-22-13-15-25-16-14-22/h4,6-7,17,21H,3,8-16,18H2,1H3