3-[3-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-yl]indol-1-yl]propanenitrile

Systemtic Name: 3-[3-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-yl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[2-(4-methylpiperazin-4-ium-1-yl)thiazol-4-yl]indol-1-yl]propanenitrile CAS Name: 3-[3-[2-(4-methyl-1-piperazin-4-iumyl)-4-thiazolyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-yl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[2-(4-methylpiperazin-4-ium-1-yl)thiazol-4-yl]indol-1-yl]propionitrile Formula: C19H22N5S+ MolecularWeight: 352.47648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC(=CS2)C3=CN(C4=CC=CC=C43)CCC#N

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC(=CS2)C3=CN(C4=CC=CC=C43)CCC#N

InChI

InChI=1S/C19H21N5S/c1-22-9-11-23(12-10-22)19-21-17(14-25-19)16-13-24(8-4-7-20)18-6-3-2-5-15(16)18/h2-3,5-6,13-14H,4,8-12H2,1H3/p+1