N'-[4-[2-[(1-oxidanidylpyridin-1-ium-4-yl)methylamino]ethyl]phenyl]thiophene-2-carboximidamide

Systemtic Name: N'-[4-[2-[(1-oxidanidylpyridin-1-ium-4-yl)methylamino]ethyl]phenyl]thiophene-2-carboximidamide Openeye Name: N'-[4-[2-[(1-oxidopyridin-1-ium-4-yl)methylamino]ethyl]phenyl]thiophene-2-carboxamidine CAS Name: N'-[4-[2-[(1-oxido-4-pyridin-1-iumyl)methylamino]ethyl]phenyl]-2-thiophenecarboximidamide IUPAC Name: N'-[4-[2-[(1-oxidopyridin-1-ium-4-yl)methylamino]ethyl]phenyl]thiophene-2-carboximidamide Traditional Name: N'-[4-[2-[(1-oxidopyridin-1-ium-4-yl)methylamino]ethyl]phenyl]thiophene-2-carboxamidine Formula: C19H20N4OS MolecularWeight: 352.4533

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=NC2=CC=C(C=C2)CCNCC3=CC=[N+](C=C3)[O-])N

Isomeric SMILES

C1=CSC(=C1)C(=NC2=CC=C(C=C2)CCNCC3=CC=[N+](C=C3)[O-])N

InChI

InChI=1S/C19H20N4OS/c20-19(18-2-1-13-25-18)22-17-5-3-15(4-6-17)7-10-21-14-16-8-11-23(24)12-9-16/h1-6,8-9,11-13,21H,7,10,14H2,(H2,20,22)