[(3R)-1-(1,4-dithiepan-6-yl)-3-(3-phenylpropyl)piperidin-1-ium-3-yl]methanol

Systemtic Name: [(3R)-1-(1,4-dithiepan-6-yl)-3-(3-phenylpropyl)piperidin-1-ium-3-yl]methanol Openeye Name: [(3R)-1-(1,4-dithiepan-6-yl)-3-(3-phenylpropyl)piperidin-1-ium-3-yl]methanol CAS Name: [(3R)-1-(1,4-dithiepan-6-yl)-3-(3-phenylpropyl)-3-piperidin-1-iumyl]methanol IUPAC Name: [(3R)-1-(1,4-dithiepan-6-yl)-3-(3-phenylpropyl)piperidin-1-ium-3-yl]methanol Traditional Name: [(3R)-1-(1,4-dithiepan-6-yl)-3-(3-phenylpropyl)piperidin-1-ium-3-yl]methanol Formula: C20H32NOS2+ MolecularWeight: 366.60418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CSCCSC2)(CCCC3=CC=CC=C3)CO

Isomeric SMILES

C1C[C@@](C[NH+](C1)C2CSCCSC2)(CCCC3=CC=CC=C3)CO

InChI

InChI=1S/C20H31NOS2/c22-17-20(9-4-8-18-6-2-1-3-7-18)10-5-11-21(16-20)19-14-23-12-13-24-15-19/h1-3,6-7,19,22H,4-5,8-17H2/p+1/t20-/m1/s1