5-[4-[(5-phenylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]carbonyl-1H-pyridin-2-one

Systemtic Name: 5-[4-[(5-phenylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]carbonyl-1H-pyridin-2-one Openeye Name: 5-[4-[(5-phenyl-2-thienyl)methyl]piperazin-4-ium-1-carbonyl]-1H-pyridin-2-one CAS Name: 5-[oxo-[4-[(5-phenyl-2-thiophenyl)methyl]-1-piperazin-4-iumyl]methyl]-1H-pyridin-2-one IUPAC Name: 5-[4-[(5-phenylthiophen-2-yl)methyl]piperazin-4-ium-1-carbonyl]-1H-pyridin-2-one Traditional Name: 5-[4-[(5-phenyl-2-thienyl)methyl]piperazin-4-ium-1-carbonyl]-2-pyridone Formula: C21H22N3O2S+ MolecularWeight: 380.48328

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)C3=CC=CC=C3)C(=O)C4=CNC(=O)C=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)C3=CC=CC=C3)C(=O)C4=CNC(=O)C=C4

InChI

InChI=1S/C21H21N3O2S/c25-20-9-6-17(14-22-20)21(26)24-12-10-23(11-13-24)15-18-7-8-19(27-18)16-4-2-1-3-5-16/h1-9,14H,10-13,15H2,(H,22,25)/p+1