(4Z)-2-(4-nitrophenyl)-4-[(2-piperazin-4-ium-1-ylethylamino)methylidene]-5-propyl-pyrazol-3-one

Systemtic Name: (4Z)-2-(4-nitrophenyl)-4-[(2-piperazin-4-ium-1-ylethylamino)methylidene]-5-propyl-pyrazol-3-one Openeye Name: (4Z)-2-(4-nitrophenyl)-4-[(2-piperazin-4-ium-1-ylethylamino)methylene]-5-propyl-pyrazol-3-one CAS Name: (4Z)-2-(4-nitrophenyl)-4-[[2-(1-piperazin-4-iumyl)ethylamino]methylidene]-5-propyl-3-pyrazolone IUPAC Name: (4Z)-2-(4-nitrophenyl)-4-[(2-piperazin-4-ium-1-ylethylamino)methylidene]-5-propylpyrazol-3-one Traditional Name: (4Z)-2-(4-nitrophenyl)-4-[(2-piperazin-4-ium-1-ylethylamino)methylene]-5-propyl-2-pyrazolin-3-one Formula: C19H27N6O3+ MolecularWeight: 387.45608

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CNCCN2CC[NH2+]CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C\NCCN2CC[NH2+]CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H26N6O3/c1-2-3-18-17(14-21-10-13-23-11-8-20-9-12-23)19(26)24(22-18)15-4-6-16(7-5-15)25(27)28/h4-7,14,20-21H,2-3,8-13H2,1H3/p+1/b17-14-