3-[3-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanoyl]indol-1-yl]propanenitrile

Systemtic Name: 3-[3-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanoyl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]indol-1-yl]propanenitrile CAS Name: 3-[3-[1-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]ethyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]indol-1-yl]propionitrile Formula: C22H25N5O+2 MolecularWeight: 375.4668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)C2=CN(C3=CC=CC=C32)CCC#N)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)C2=CN(C3=CC=CC=C32)CCC#N)C4=CC=CC=[NH+]4

InChI

InChI=1S/C22H23N5O/c23-9-5-11-27-16-19(18-6-1-2-7-20(18)27)21(28)17-25-12-14-26(15-13-25)22-8-3-4-10-24-22/h1-4,6-8,10,16H,5,11-15,17H2/p+2