N-[4,5-dimethyl-3-[(S)-piperidin-1-ium-1-yl(pyridin-3-yl)methyl]thiophen-2-yl]furan-2-carboxamide

Systemtic Name: N-[4,5-dimethyl-3-[(S)-piperidin-1-ium-1-yl(pyridin-3-yl)methyl]thiophen-2-yl]furan-2-carboxamide Openeye Name: N-[4,5-dimethyl-3-[(S)-piperidin-1-ium-1-yl(3-pyridyl)methyl]-2-thienyl]furan-2-carboxamide CAS Name: N-[4,5-dimethyl-3-[(S)-1-piperidin-1-iumyl(3-pyridinyl)methyl]-2-thiophenyl]-2-furancarboxamide IUPAC Name: N-[4,5-dimethyl-3-[(S)-piperidin-1-ium-1-yl(pyridin-3-yl)methyl]thiophen-2-yl]furan-2-carboxamide Traditional Name: N-[4,5-dimethyl-3-[(S)-piperidin-1-ium-1-yl(3-pyridyl)methyl]-2-thienyl]-2-furamide Formula: C22H26N3O2S+ MolecularWeight: 396.52574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(C2=CN=CC=C2)[NH+]3CCCCC3)NC(=O)C4=CC=CO4)C

Isomeric SMILES

CC1=C(SC(=C1[C@H](C2=CN=CC=C2)[NH+]3CCCCC3)NC(=O)C4=CC=CO4)C

InChI

InChI=1S/C22H25N3O2S/c1-15-16(2)28-22(24-21(26)18-9-7-13-27-18)19(15)20(17-8-6-10-23-14-17)25-11-4-3-5-12-25/h6-10,13-14,20H,3-5,11-12H2,1-2H3,(H,24,26)/p+1/t20-/m0/s1