N-[2-chloranyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-phenyl]thiophene-2-carboxamide

Systemtic Name: N-[2-chloranyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-phenyl]thiophene-2-carboxamide Openeye Name: N-[2-chloro-5-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide CAS Name: N-[2-chloro-5-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[2-chloro-5-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide Traditional Name: N-[2-chloro-5-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide Formula: C21H20ClN4O2S+ MolecularWeight: 427.9271

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC(=C(C=C3)Cl)NC(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC(=C(C=C3)Cl)NC(=O)C4=CC=CS4

InChI

InChI=1S/C21H19ClN4O2S/c22-16-7-6-15(14-17(16)24-20(27)18-4-3-13-29-18)21(28)26-11-9-25(10-12-26)19-5-1-2-8-23-19/h1-8,13-14H,9-12H2,(H,24,27)/p+1