(4Z)-5-methyl-4-[[1-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propyl]indol-3-yl]methylidene]-2-phenyl-pyrazol-3-one

Systemtic Name: (4Z)-5-methyl-4-[[1-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propyl]indol-3-yl]methylidene]-2-phenyl-pyrazol-3-one Openeye Name: (4Z)-4-[[1-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propyl]indol-3-yl]methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: (4Z)-4-[[1-[(2S)-2-hydroxy-3-(1-piperidin-1-iumyl)propyl]-3-indolyl]methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: (4Z)-4-[[1-[(2S)-2-hydroxy-3-piperidin-1-ium-1-ylpropyl]indol-3-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: (4Z)-4-[[1-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propyl]indol-3-yl]methylene]-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C27H31N4O2+ MolecularWeight: 443.56064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CN(C3=CC=CC=C32)CC(C[NH+]4CCCCC4)O)C5=CC=CC=C5

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CN(C3=CC=CC=C32)C[C@@H](C[NH+]4CCCCC4)O)C5=CC=CC=C5

InChI

InChI=1S/C27H30N4O2/c1-20-25(27(33)31(28-20)22-10-4-2-5-11-22)16-21-17-30(26-13-7-6-12-24(21)26)19-23(32)18-29-14-8-3-9-15-29/h2,4-7,10-13,16-17,23,32H,3,8-9,14-15,18-19H2,1H3/p+1/b25-16-/t23-/m1/s1