2-phenyl-5-propan-2-yl-7-[4-(2-thiophen-2-ylethanoyl)piperazin-1-yl]carbonyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one

Systemtic Name: 2-phenyl-5-propan-2-yl-7-[4-(2-thiophen-2-ylethanoyl)piperazin-1-yl]carbonyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one Openeye Name: 5-isopropyl-2-phenyl-7-[4-[2-(2-thienyl)acetyl]piperazine-1-carbonyl]-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one CAS Name: 7-[oxo-[4-(1-oxo-2-thiophen-2-ylethyl)-1-piperazinyl]methyl]-2-phenyl-5-propan-2-yl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one IUPAC Name: 2-phenyl-5-propan-2-yl-7-[4-(2-thiophen-2-ylacetyl)piperazine-1-carbonyl]-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one Traditional Name: 5-isopropyl-2-phenyl-7-[4-[2-(2-thienyl)acetyl]piperazine-1-carbonyl]-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one Formula: C26H28N5O3S+ MolecularWeight: 490.59722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+]1=CC(=C2C(=C1)C(=O)N(N2)C3=CC=CC=C3)C(=O)N4CCN(CC4)C(=O)CC5=CC=CS5

Isomeric SMILES

CC(C)[N+]1=CC(=C2C(=C1)C(=O)N(N2)C3=CC=CC=C3)C(=O)N4CCN(CC4)C(=O)CC5=CC=CS5

InChI

InChI=1S/C26H27N5O3S/c1-18(2)30-16-21(24-22(17-30)26(34)31(27-24)19-7-4-3-5-8-19)25(33)29-12-10-28(11-13-29)23(32)15-20-9-6-14-35-20/h3-9,14,16-18H,10-13,15H2,1-2H3/p+1