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

Systemtic Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[(2-piperazin-4-ium-1-ylethylamino)methylidene]-5-propyl-pyrazol-3-one Openeye Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[(2-piperazin-4-ium-1-ylethylamino)methylene]-5-propyl-pyrazol-3-one CAS Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[[2-(1-piperazin-4-iumyl)ethylamino]methylidene]-5-propyl-3-pyrazolone IUPAC Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[(2-piperazin-4-ium-1-ylethylamino)methylidene]-5-propylpyrazol-3-one Traditional Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[(2-piperazin-4-ium-1-ylethylamino)methylene]-5-propyl-2-pyrazolin-3-one Formula: C20H27N6OS+ MolecularWeight: 399.53298

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CNCCN2CC[NH2+]CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C\NCCN2CC[NH2+]CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H26N6OS/c1-2-5-16-15(14-22-10-13-25-11-8-21-9-12-25)19(27)26(24-16)20-23-17-6-3-4-7-18(17)28-20/h3-4,6-7,14,21-22H,2,5,8-13H2,1H3/p+1/b15-14-