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

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-5-[1-[(2S)-2-methylbutyl]-4-oxidanyl-piperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-5-[4-hydroxy-1-[(2S)-2-methylbutyl]piperidin-1-ium-4-yl]benzofuran-2-carboxamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-5-[4-hydroxy-1-[(2S)-2-methylbutyl]-4-piperidin-1-iumyl]-2-benzofurancarboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-5-[4-hydroxy-1-[(2S)-2-methylbutyl]piperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-5-[4-hydroxy-1-[(2S)-2-methylbutyl]piperidin-1-ium-4-yl]coumarilamide Formula: C27H32N3O3S+ MolecularWeight: 478.62628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O3S/c1-3-18(2)17-30-12-10-27(32,11-13-30)20-8-9-22-19(14-20)15-23(33-22)26(31)28-16-25-29-21-6-4-5-7-24(21)34-25/h4-9,14-15,18,32H,3,10-13,16-17H2,1-2H3,(H,28,31)/p+1/t18-/m0/s1