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

Systemtic Name: (4E)-4-[[1-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]indol-3-yl]methylidene]-5-methyl-2-phenyl-pyrazol-3-one Openeye Name: (4E)-4-[[1-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]indol-3-yl]methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: (4E)-4-[[1-[(4-ethyl-1-piperazine-1,4-diiumyl)methyl]-3-indolyl]methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: (4E)-4-[[1-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]indol-3-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: (4E)-4-[[1-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]indol-3-yl]methylene]-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C26H31N5O+2 MolecularWeight: 429.55724

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CN2C=C(C3=CC=CC=C32)C=C4C(=NN(C4=O)C5=CC=CC=C5)C

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CN2C=C(C3=CC=CC=C32)/C=C/4\C(=NN(C4=O)C5=CC=CC=C5)C

InChI

InChI=1S/C26H29N5O/c1-3-28-13-15-29(16-14-28)19-30-18-21(23-11-7-8-12-25(23)30)17-24-20(2)27-31(26(24)32)22-9-5-4-6-10-22/h4-12,17-18H,3,13-16,19H2,1-2H3/p+2/b24-17+