N-(1,3-benzothiazol-2-ylmethyl)-5-[1-(3-methylbut-2-enyl)-4-oxidanyl-piperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-5-[1-(3-methylbut-2-enyl)-4-oxidanyl-piperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-5-[4-hydroxy-1-(3-methylbut-2-enyl)piperidin-1-ium-4-yl]benzofuran-2-carboxamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-5-[4-hydroxy-1-(3-methylbut-2-enyl)-4-piperidin-1-iumyl]-2-benzofurancarboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-5-[4-hydroxy-1-(3-methylbut-2-enyl)piperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-5-[4-hydroxy-1-(3-methylbut-2-enyl)piperidin-1-ium-4-yl]coumarilamide Formula: C27H30N3O3S+ MolecularWeight: 476.6104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC[NH+]1CCC(CC1)(C2=CC3=C(C=C2)OC(=C3)C(=O)NCC4=NC5=CC=CC=C5S4)O)C

Isomeric SMILES

CC(=CC[NH+]1CCC(CC1)(C2=CC3=C(C=C2)OC(=C3)C(=O)NCC4=NC5=CC=CC=C5S4)O)C

InChI

InChI=1S/C27H29N3O3S/c1-18(2)9-12-30-13-10-27(32,11-14-30)20-7-8-22-19(15-20)16-23(33-22)26(31)28-17-25-29-21-5-3-4-6-24(21)34-25/h3-9,15-16,32H,10-14,17H2,1-2H3,(H,28,31)/p+1