5-[3-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-4,6-dimethyl-2-oxidanylidene-1H-pyridine-3-carbonitrile

Systemtic Name: 5-[3-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-4,6-dimethyl-2-oxidanylidene-1H-pyridine-3-carbonitrile Openeye Name: 5-[3-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-3-oxo-propyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile CAS Name: 5-[3-[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-3-oxopropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile IUPAC Name: 5-[3-[4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-3-oxopropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile Traditional Name: 5-[3-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-3-keto-propyl]-2-keto-4,6-dimethyl-1H-pyridine-3-carbonitrile Formula: C20H24BrN4O2S+ MolecularWeight: 464.39916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=C1CCC(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Br)C)C#N

Isomeric SMILES

CC1=C(C(=O)NC(=C1CCC(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Br)C)C#N

InChI

InChI=1S/C20H23BrN4O2S/c1-13-16(14(2)23-20(27)17(13)11-22)4-6-19(26)25-9-7-24(8-10-25)12-15-3-5-18(21)28-15/h3,5H,4,6-10,12H2,1-2H3,(H,23,27)/p+1