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

Systemtic Name: N-[2-chloranyl-5-[(1-pyridin-1-ium-2-ylpiperidin-4-yl)carbamoyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[2-chloro-5-[(1-pyridin-1-ium-2-yl-4-piperidyl)carbamoyl]phenyl]thiophene-2-carboxamide CAS Name: N-[2-chloro-5-[oxo-[[1-(2-pyridin-1-iumyl)-4-piperidinyl]amino]methyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[2-chloro-5-[(1-pyridin-1-ium-2-ylpiperidin-4-yl)carbamoyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[2-chloro-5-[(1-pyridin-1-ium-2-yl-4-piperidyl)carbamoyl]phenyl]thiophene-2-carboxamide Formula: C22H22ClN4O2S+ MolecularWeight: 441.95368

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC=CS3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CCC1NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC=CS3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C22H21ClN4O2S/c23-17-7-6-15(14-18(17)26-22(29)19-4-3-13-30-19)21(28)25-16-8-11-27(12-9-16)20-5-1-2-10-24-20/h1-7,10,13-14,16H,8-9,11-12H2,(H,25,28)(H,26,29)/p+1