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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22ClNOS2/c18-15-5-3-13(4-6-15)17(20)14-2-1-7-19(10-14)16-11-21-8-9-22-12-16/h3-6,14,16H,1-2,7-12H2/p+1/t14-/m0/s1