(3-chlorophenyl)-[(3S)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]methanone

Systemtic Name: (3-chlorophenyl)-[(3S)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]methanone Openeye Name: (3-chlorophenyl)-[(3S)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]methanone CAS Name: (3-chlorophenyl)-[(3S)-1-(1,4-dithiepan-6-yl)-3-piperidin-1-iumyl]methanone IUPAC Name: (3-chlorophenyl)-[(3S)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]methanone Traditional Name: (3-chlorophenyl)-[(3S)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]methanone Formula: C17H23ClNOS2+ MolecularWeight: 356.95362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CSCCSC2)C(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CSCCSC2)C(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H22ClNOS2/c18-15-5-1-3-13(9-15)17(20)14-4-2-6-19(10-14)16-11-21-7-8-22-12-16/h1,3,5,9,14,16H,2,4,6-8,10-12H2/p+1/t14-/m0/s1