(1-methyl-2-phenyl-indol-3-yl)-(4-oxidanidyl-4-pyridin-3-yl-piperazin-4-ium-1-yl)methanone

Systemtic Name: (1-methyl-2-phenyl-indol-3-yl)-(4-oxidanidyl-4-pyridin-3-yl-piperazin-4-ium-1-yl)methanone Openeye Name: (1-methyl-2-phenyl-indol-3-yl)-[4-oxido-4-(3-pyridyl)piperazin-4-ium-1-yl]methanone CAS Name: (1-methyl-2-phenyl-3-indolyl)-[4-oxido-4-(3-pyridinyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (1-methyl-2-phenylindol-3-yl)-(4-oxido-4-pyridin-3-ylpiperazin-4-ium-1-yl)methanone Traditional Name: (1-methyl-2-phenyl-indol-3-yl)-[4-oxido-4-(3-pyridyl)piperazin-4-ium-1-yl]methanone Formula: C25H24N4O2 MolecularWeight: 412.48366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=O)N4CC[N+](CC4)(C5=CN=CC=C5)[O-]

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=O)N4CC[N+](CC4)(C5=CN=CC=C5)[O-]

InChI

InChI=1S/C25H24N4O2/c1-27-22-12-6-5-11-21(22)23(24(27)19-8-3-2-4-9-19)25(30)28-14-16-29(31,17-15-28)20-10-7-13-26-18-20/h2-13,18H,14-17H2,1H3