1-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]-3-propan-2-yl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile

Systemtic Name: 1-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]-3-propan-2-yl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 1-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-yl]-3-isopropyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 1-[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazinyl]-3-propan-2-yl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 1-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-3-propan-2-yl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 1-[4-[(5-bromo-2-thienyl)sulfonyl]piperazino]-3-isopropyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C23H23BrN5O2S2+ MolecularWeight: 545.49502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=[N+]2C3=CC=CC=C3NC2=C1C#N)N4CCN(CC4)S(=O)(=O)C5=CC=C(S5)Br

Isomeric SMILES

CC(C)C1=CC(=[N+]2C3=CC=CC=C3NC2=C1C#N)N4CCN(CC4)S(=O)(=O)C5=CC=C(S5)Br

InChI

InChI=1S/C23H22BrN5O2S2/c1-15(2)16-13-21(29-19-6-4-3-5-18(19)26-23(29)17(16)14-25)27-9-11-28(12-10-27)33(30,31)22-8-7-20(24)32-22/h3-8,13,15H,9-12H2,1-2H3/p+1