5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]furan-2-carboxamide

Systemtic Name: 5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]furan-2-carboxamide Openeye Name: 5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]furan-2-carboxamide CAS Name: 5-[[(4-methyl-1,3-benzoxazol-2-yl)thio]methyl]-N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]-2-furancarboxamide IUPAC Name: 5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]furan-2-carboxamide Traditional Name: 5-[[(4-methyl-1,3-benzoxazol-2-yl)thio]methyl]-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-2-furamide Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)C2=CC=C(O2)CSC3=NC4=C(C=CC=C4O3)C

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)C2=CC=C(O2)CSC3=NC4=C(C=CC=C4O3)C

InChI

InChI=1S/C23H29N3O3S/c1-16-7-5-9-19-21(16)25-23(29-19)30-15-18-10-11-20(28-18)22(27)24-12-6-14-26-13-4-3-8-17(26)2/h5,7,9-11,17H,3-4,6,8,12-15H2,1-2H3,(H,24,27)/p+1/t17-/m0/s1