(1-methyl-2-phenyl-indol-3-yl)-[4-(1-oxidanidylpyridin-1-ium-2-yl)piperazin-1-yl]methanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=O)N4CCN(CC4)C5=CC=CC=[N+]5[O-]

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=O)N4CCN(CC4)C5=CC=CC=[N+]5[O-]

InChI

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