3-(4-bromophenyl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-ethyl-3-oxidanylidene-propanethioamide

Systemtic Name: 3-(4-bromophenyl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-ethyl-3-oxidanylidene-propanethioamide Openeye Name: 3-(4-bromophenyl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-ethyl-3-oxo-propanethioamide CAS Name: 3-(4-bromophenyl)-2-[4-(dimethylamino)-1-pyridin-1-iumyl]-N-ethyl-3-oxopropanethioamide IUPAC Name: 3-(4-bromophenyl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-ethyl-3-oxopropanethioamide Traditional Name: 3-(4-bromophenyl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-ethyl-3-keto-thiopropionamide Formula: C18H21BrN3OS+ MolecularWeight: 407.34784

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)C(C(=O)C1=CC=C(C=C1)Br)[N+]2=CC=C(C=C2)N(C)C

Isomeric SMILES

CCNC(=S)C(C(=O)C1=CC=C(C=C1)Br)[N+]2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C18H20BrN3OS/c1-4-20-18(24)16(17(23)13-5-7-14(19)8-6-13)22-11-9-15(10-12-22)21(2)3/h5-12,16H,4H2,1-3H3/p+1