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

Systemtic Name: N-[4,5-dimethyl-3-[(S)-(4-methylpiperidin-1-ium-1-yl)-pyridin-3-yl-methyl]thiophen-2-yl]furan-2-carboxamide Openeye Name: N-[4,5-dimethyl-3-[(S)-(4-methylpiperidin-1-ium-1-yl)-(3-pyridyl)methyl]-2-thienyl]furan-2-carboxamide CAS Name: N-[4,5-dimethyl-3-[(S)-(4-methyl-1-piperidin-1-iumyl)-(3-pyridinyl)methyl]-2-thiophenyl]-2-furancarboxamide IUPAC Name: N-[4,5-dimethyl-3-[(S)-(4-methylpiperidin-1-ium-1-yl)-pyridin-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide Traditional Name: N-[4,5-dimethyl-3-[(S)-(4-methylpiperidin-1-ium-1-yl)-(3-pyridyl)methyl]-2-thienyl]-2-furamide Formula: C23H28N3O2S+ MolecularWeight: 410.55232

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(C2=CN=CC=C2)C3=C(SC(=C3C)C)NC(=O)C4=CC=CO4

Isomeric SMILES

CC1CC[NH+](CC1)[C@@H](C2=CN=CC=C2)C3=C(SC(=C3C)C)NC(=O)C4=CC=CO4

InChI

InChI=1S/C23H27N3O2S/c1-15-8-11-26(12-9-15)21(18-6-4-10-24-14-18)20-16(2)17(3)29-23(20)25-22(27)19-7-5-13-28-19/h4-7,10,13-15,21H,8-9,11-12H2,1-3H3,(H,25,27)/p+1/t21-/m0/s1