(4E)-5-methyl-4-[[1-[(4-methylpiperazine-1,4-diium-1-yl)methyl]indol-3-yl]methylidene]-2-phenyl-pyrazol-3-one

Systemtic Name: (4E)-5-methyl-4-[[1-[(4-methylpiperazine-1,4-diium-1-yl)methyl]indol-3-yl]methylidene]-2-phenyl-pyrazol-3-one Openeye Name: (4E)-5-methyl-4-[[1-[(4-methylpiperazine-1,4-diium-1-yl)methyl]indol-3-yl]methylene]-2-phenyl-pyrazol-3-one CAS Name: (4E)-5-methyl-4-[[1-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-3-indolyl]methylidene]-2-phenyl-3-pyrazolone IUPAC Name: (4E)-5-methyl-4-[[1-[(4-methylpiperazine-1,4-diium-1-yl)methyl]indol-3-yl]methylidene]-2-phenylpyrazol-3-one Traditional Name: (4E)-5-methyl-4-[[1-[(4-methylpiperazine-1,4-diium-1-yl)methyl]indol-3-yl]methylene]-2-phenyl-2-pyrazolin-3-one Formula: C25H29N5O+2 MolecularWeight: 415.53066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CN(C3=CC=CC=C32)C[NH+]4CC[NH+](CC4)C)C5=CC=CC=C5

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CN(C3=CC=CC=C32)C[NH+]4CC[NH+](CC4)C)C5=CC=CC=C5

InChI

InChI=1S/C25H27N5O/c1-19-23(25(31)30(26-19)21-8-4-3-5-9-21)16-20-17-29(24-11-7-6-10-22(20)24)18-28-14-12-27(2)13-15-28/h3-11,16-17H,12-15,18H2,1-2H3/p+2/b23-16+