1-(4-chlorophenyl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-(furan-2-ylmethylamino)-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 1-(4-chlorophenyl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-(furan-2-ylmethylamino)-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(4-chlorophenyl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-(2-furylmethylamino)-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(4-chlorophenyl)-2-[4-(dimethylamino)-1-pyridin-1-iumyl]-3-(2-furanylmethylamino)-3-mercapto-2-propen-1-one IUPAC Name: 1-(4-chlorophenyl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-(furan-2-ylmethylamino)-3-sulfanylprop-2-en-1-one Traditional Name: 1-(4-chlorophenyl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-(2-furfurylamino)-3-mercapto-prop-2-en-1-one Formula: C21H21ClN3O2S+ MolecularWeight: 414.92834

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=[N+](C=C1)C(=C(NCC2=CC=CO2)S)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CN(C)C1=CC=[N+](C=C1)C(=C(NCC2=CC=CO2)S)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H20ClN3O2S/c1-24(2)17-9-11-25(12-10-17)19(20(26)15-5-7-16(22)8-6-15)21(28)23-14-18-4-3-13-27-18/h3-13H,14H2,1-2H3,(H-,23,26,28)/p+1