2-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethanoyl-methyl-amino]-N-(furan-2-ylmethyl)benzamide

Systemtic Name: 2-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethanoyl-methyl-amino]-N-(furan-2-ylmethyl)benzamide Openeye Name: 2-[[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetyl]-methyl-amino]-N-(2-furylmethyl)benzamide CAS Name: 2-[[2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-1-oxoethyl]-methylamino]-N-(2-furanylmethyl)benzamide IUPAC Name: 2-[[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide Traditional Name: 2-[[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetyl]-methyl-amino]-N-(2-furfuryl)benzamide Formula: C27H29N4O3S+ MolecularWeight: 489.60916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)NCC2=CC=CO2)C(=O)C[NH+]3CCC(CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)NCC2=CC=CO2)C(=O)C[NH+]3CCC(CC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H28N4O3S/c1-30(23-10-4-2-8-21(23)26(33)28-17-20-7-6-16-34-20)25(32)18-31-14-12-19(13-15-31)27-29-22-9-3-5-11-24(22)35-27/h2-11,16,19H,12-15,17-18H2,1H3,(H,28,33)/p+1