(2S)-2-(4-chlorophenyl)sulfanyl-1-[2-(propan-2-ylamino)pyridin-1-ium-1-yl]propan-1-one

Systemtic Name: (2S)-2-(4-chlorophenyl)sulfanyl-1-[2-(propan-2-ylamino)pyridin-1-ium-1-yl]propan-1-one Openeye Name: (2S)-2-(4-chlorophenyl)sulfanyl-1-[2-(isopropylamino)pyridin-1-ium-1-yl]propan-1-one CAS Name: (2S)-2-[(4-chlorophenyl)thio]-1-[2-(propan-2-ylamino)-1-pyridin-1-iumyl]-1-propanone IUPAC Name: (2S)-2-(4-chlorophenyl)sulfanyl-1-[2-(propan-2-ylamino)pyridin-1-ium-1-yl]propan-1-one Traditional Name: (2S)-2-[(4-chlorophenyl)thio]-1-[2-(isopropylamino)pyridin-1-ium-1-yl]propan-1-one Formula: C17H20ClN2OS+ MolecularWeight: 335.8715

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=CC=CC=[N+]1C(=O)C(C)SC2=CC=C(C=C2)Cl

Isomeric SMILES

C[C@@H](C(=O)[N+]1=CC=CC=C1NC(C)C)SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H19ClN2OS/c1-12(2)19-16-6-4-5-11-20(16)17(21)13(3)22-15-9-7-14(18)8-10-15/h4-13H,1-3H3/p+1/t13-/m0/s1